6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide

C18H25N5O5S2 — CID 51585591

IUPAC6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc1
InChIInChI=1S/C18H25N5O5S2/c1-6-23(7-2)30(27,28)12-8-9-13(20-10-12)29-11(3)15(24)14-16(19)21(4)18(26)22(5)17(14)25/h8-11H,6-7,19H2,1-5H3/t11-/m0/s1
InChIKeyCMSLIQVINVIEDX-NSHDSACASA-N
MW455.56 g/mol
LogP0.46
Rot. Bonds8

About 6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide

6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide (PubChem CID 51585591) has the molecular formula C18H25N5O5S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is 6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide
PubChem CID51585591
Molecular FormulaC18H25N5O5S2
Molecular Weight455.56 g/mol
Exact Mass455.13
IUPAC Name6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc1
InChIInChI=1S/C18H25N5O5S2/c1-6-23(7-2)30(27,28)12-8-9-13(20-10-12)29-11(3)15(24)14-16(19)21(4)18(26)22(5)17(14)25/h8-11H,6-7,19H2,1-5H3/t11-/m0/s1
InChIKeyCMSLIQVINVIEDX-NSHDSACASA-N
XLogP0.46
TPSA137.36 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide with MolForge

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Related Compounds

6-amino-1,3-dimethyl-5-[(2R)-2-pyrimidin-2-ylsulfanylpropanoyl]pyrimidine-2,4-dione
CID 40803849
6-amino-5-[(2R)-2-(4-fluorophenyl)sulfanylpropanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27171786
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]propanoic acid
CID 103602501
N,N-dimethyl-6-[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl]sulfanylpyridine-3-sulfonamide
CID 38967801
N-carbamoyl-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]acetamide
CID 30028161
6-[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 42952340
6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 38968038
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]sulfanyl]propanamide
CID 55373507
6-amino-5-[2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
CID 55562318
2-[[5-(dimethylsulfamoyl)-2-pyridinyl]sulfanyl]-N-(1-phenylbutyl)propanamide
CID 45352159
N,N-dimethyl-6-[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanylpyridine-3-sulfonamide
CID 18092252
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 55487296

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide (CID 51585591) is 6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide is CCN(CC)S(=O)(=O)c1ccc(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc1.
What is the InChIKey of 6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide?
The InChIKey is CMSLIQVINVIEDX-NSHDSACASA-N. The full InChI is InChI=1S/C18H25N5O5S2/c1-6-23(7-2)30(27,28)12-8-9-13(20-10-12)29-11(3)15(24)14-16(19)21(4)18(26)22(5)17(14)25/h8-11H,6-7,19H2,1-5H3/t11-/m0/s1.
What are the key properties of 6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide?
6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide has a molecular weight of 455.56 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-1-oxopropan-2-yl]sulfanyl-N,N-diethylpyridine-3-sulfonamide is sourced from PubChem (CID 51585591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).