N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide

C16H26N4O2S — CID 124974868

IUPACN-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide
SMILESCc1cccc(N2CCC[C@H](N(C)S(=O)(=O)N3CCCC3)C2)n1
InChIInChI=1S/C16H26N4O2S/c1-14-7-5-9-16(17-14)19-10-6-8-15(13-19)18(2)23(21,22)20-11-3-4-12-20/h5,7,9,15H,3-4,6,8,10-13H2,1-2H3/t15-/m0/s1
InChIKeyKTOIGQICAKYPIB-HNNXBMFYSA-N
MW338.48 g/mol
LogP1.63
Rot. Bonds4

About N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide

N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide (PubChem CID 124974868) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide
PubChem CID124974868
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide
SMILESCc1cccc(N2CCC[C@H](N(C)S(=O)(=O)N3CCCC3)C2)n1
InChIInChI=1S/C16H26N4O2S/c1-14-7-5-9-16(17-14)19-10-6-8-15(13-19)18(2)23(21,22)20-11-3-4-12-20/h5,7,9,15H,3-4,6,8,10-13H2,1-2H3/t15-/m0/s1
InChIKeyKTOIGQICAKYPIB-HNNXBMFYSA-N
XLogP1.63
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane
CID 163346171
N-methyl-2-(2-methylimidazol-1-yl)-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124982829
N,3,5-trimethyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]-1,2-oxazole-4-carboxamide
CID 125003122
2-methoxy-N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyridine-3-carboxamide
CID 125014728
2-methoxy-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyridine-3-carboxamide
CID 125014729
N,6-dimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyridine-2-carboxamide
CID 124981919
ethane;N-methylmethanamine;2-methyl-6-pyrrolidin-1-ylpyridine
CID 156652479
N-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)ethanesulfonamide
CID 110107181
2-(azetidin-1-yl)-6-methylpyridine
CID 54182749
N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124519191
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
3-(1,5-dimethylpyrazol-4-yl)-N-methyl-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]propanamide
CID 124947513

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide (CID 124974868) is N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide is Cc1cccc(N2CCC[C@H](N(C)S(=O)(=O)N3CCCC3)C2)n1.
What is the InChIKey of N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide?
The InChIKey is KTOIGQICAKYPIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-14-7-5-9-16(17-14)19-10-6-8-15(13-19)18(2)23(21,22)20-11-3-4-12-20/h5,7,9,15H,3-4,6,8,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide?
N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide has a molecular weight of 338.48 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3S)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 124974868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).