N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide

C16H26N4O2S — CID 133317803

IUPACN-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(CN3CCCC3)CC2)nc1
InChIInChI=1S/C16H26N4O2S/c1-17-23(21,22)15-4-5-16(18-12-15)20-10-6-14(7-11-20)13-19-8-2-3-9-19/h4-5,12,14,17H,2-3,6-11,13H2,1H3
InChIKeySLZVGLIVKDUBCD-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.30
Rot. Bonds5

About N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide

N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide (PubChem CID 133317803) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
PubChem CID133317803
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(N2CCC(CN3CCCC3)CC2)nc1
InChIInChI=1S/C16H26N4O2S/c1-17-23(21,22)15-4-5-16(18-12-15)20-10-6-14(7-11-20)13-19-8-2-3-9-19/h4-5,12,14,17H,2-3,6-11,13H2,1H3
InChIKeySLZVGLIVKDUBCD-UHFFFAOYSA-N
XLogP1.30
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133359177
6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133351779
5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 143718986
6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133298305
[6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-pyridinyl]methanamine
CID 63007762
1-[5-(methylsulfamoyl)-2-pyridinyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331662
6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-methylpyridine-3-sulfonamide
CID 133355008
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133406389
6-[3-(methylaminomethyl)pyrrolidin-1-yl]pyridine-3-sulfonamide
CID 63267802
N-(cyclopropylmethyl)-6-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]pyridine-3-sulfonamide
CID 133396182
1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
CID 171070266
5-methyl-2-[4-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
CID 171429390

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide (CID 133317803) is N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(N2CCC(CN3CCCC3)CC2)nc1.
What is the InChIKey of N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is SLZVGLIVKDUBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-17-23(21,22)15-4-5-16(18-12-15)20-10-6-14(7-11-20)13-19-8-2-3-9-19/h4-5,12,14,17H,2-3,6-11,13H2,1H3.
What are the key properties of N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide?
N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 338.48 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 133317803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).