N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide

C14H24N4O2S — CID 62146336

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NCC2CCN(C)C2)ccn1
InChIInChI=1S/C14H24N4O2S/c1-3-6-15-14-9-13(4-7-16-14)21(19,20)17-10-12-5-8-18(2)11-12/h4,7,9,12,17H,3,5-6,8,10-11H2,1-2H3,(H,15,16)
InChIKeyGLJLEVDLXPRZHF-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.13
Rot. Bonds7

About N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide

N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide (PubChem CID 62146336) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
PubChem CID62146336
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)NCC2CCN(C)C2)ccn1
InChIInChI=1S/C14H24N4O2S/c1-3-6-15-14-9-13(4-7-16-14)21(19,20)17-10-12-5-8-18(2)11-12/h4,7,9,12,17H,3,5-6,8,10-11H2,1-2H3,(H,15,16)
InChIKeyGLJLEVDLXPRZHF-UHFFFAOYSA-N
XLogP1.13
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62179148
[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
CID 62164530
N-(dicyclopropylmethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62152445
2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
CID 62148405
N-(1,4-dioxan-2-ylmethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62147420
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-sulfonamide
CID 63275008
N-(1-cyclopropylpropan-2-yl)-2-(propylamino)pyridine-4-sulfonamide
CID 63995589
1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol
CID 62153093
3-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103299286
N-(2-imidazol-1-ylethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62151053
N-(4-hydroxycyclohexyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62150249
N-(1,3-dimethylpiperidin-4-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 114505908

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide (CID 62146336) is N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide is CCCNc1cc(S(=O)(=O)NCC2CCN(C)C2)ccn1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide?
The InChIKey is GLJLEVDLXPRZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-3-6-15-14-9-13(4-7-16-14)21(19,20)17-10-12-5-8-18(2)11-12/h4,7,9,12,17H,3,5-6,8,10-11H2,1-2H3,(H,15,16).
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide?
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 62146336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).