(3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide

C14H23N5O3S — CID 97487508

IUPAC(3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCOC[C@@H]1c1nccc(N2CCCC2)n1
InChIInChI=1S/C14H23N5O3S/c1-17(2)23(20,21)19-9-10-22-11-12(19)14-15-6-5-13(16-14)18-7-3-4-8-18/h5-6,12H,3-4,7-11H2,1-2H3/t12-/m1/s1
InChIKeyKTVINOKPBGNEQC-GFCCVEGCSA-N
MW341.44 g/mol
LogP0.26
Rot. Bonds4

About (3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide

(3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide (PubChem CID 97487508) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide
PubChem CID97487508
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC Name(3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCOC[C@@H]1c1nccc(N2CCCC2)n1
InChIInChI=1S/C14H23N5O3S/c1-17(2)23(20,21)19-9-10-22-11-12(19)14-15-6-5-13(16-14)18-7-3-4-8-18/h5-6,12H,3-4,7-11H2,1-2H3/t12-/m1/s1
InChIKeyKTVINOKPBGNEQC-GFCCVEGCSA-N
XLogP0.26
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]morpholine-4-sulfonamide
CID 110113783
(3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
CID 97484662
[3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 131642541
2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97485841
(3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
CID 97486112
1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155842670
4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 122344638
N-(cyclopropylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
CID 97485736
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[(3-methoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826620
N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide
CID 127302660
N-(furan-2-ylmethyl)-2-[(3R)-4-methylsulfonylmorpholin-3-yl]pyrimidin-4-amine
CID 97485111

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide?
The IUPAC name of (3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide (CID 97487508) is (3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide.
What is the SMILES notation for (3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide?
The canonical SMILES for (3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide is CN(C)S(=O)(=O)N1CCOC[C@@H]1c1nccc(N2CCCC2)n1.
What is the InChIKey of (3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide?
The InChIKey is KTVINOKPBGNEQC-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-17(2)23(20,21)19-9-10-22-11-12(19)14-15-6-5-13(16-14)18-7-3-4-8-18/h5-6,12H,3-4,7-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide?
(3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 97487508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).