4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide

C13H23N5O3S — CID 11056575

IUPAC4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCO[C@@H](C)c1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1
InChIInChI=1S/C13H23N5O3S/c1-11(21-4)13-14-6-5-12(15-13)17-7-9-18(10-8-17)22(19,20)16(2)3/h5-6,11H,7-10H2,1-4H3/t11-/m0/s1
InChIKeyGSHKHNWCAPPEQP-NSHDSACASA-N
MW329.43 g/mol
LogP0.11
Rot. Bonds5

About 4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide

4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide (PubChem CID 11056575) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
PubChem CID11056575
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC Name4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
SMILESCO[C@@H](C)c1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1
InChIInChI=1S/C13H23N5O3S/c1-11(21-4)13-14-6-5-12(15-13)17-7-9-18(10-8-17)22(19,20)16(2)3/h5-6,11H,7-10H2,1-4H3/t11-/m0/s1
InChIKeyGSHKHNWCAPPEQP-NSHDSACASA-N
XLogP0.11
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The IUPAC name of 4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide (CID 11056575) is 4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide is CO[C@@H](C)c1nccc(N2CCN(S(=O)(=O)N(C)C)CC2)n1.
What is the InChIKey of 4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide?
The InChIKey is GSHKHNWCAPPEQP-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-11(21-4)13-14-6-5-12(15-13)17-7-9-18(10-8-17)22(19,20)16(2)3/h5-6,11H,7-10H2,1-4H3/t11-/m0/s1.
What are the key properties of 4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide?
4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide has a molecular weight of 329.43 g/mol, XLogP of 0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1S)-1-methoxyethyl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide is sourced from PubChem (CID 11056575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).