N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide

C15H25N3O2S — CID 106026792

IUPACN-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCC2CCCC2)nc1
InChIInChI=1S/C15H25N3O2S/c1-12(2)16-9-14-7-8-15(17-10-14)21(19,20)18-11-13-5-3-4-6-13/h7-8,10,12-13,16,18H,3-6,9,11H2,1-2H3
InChIKeyDZBKCSSDJVVYIR-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.05
Rot. Bonds7

About N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide

N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide (PubChem CID 106026792) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
PubChem CID106026792
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCC2CCCC2)nc1
InChIInChI=1S/C15H25N3O2S/c1-12(2)16-9-14-7-8-15(17-10-14)21(19,20)18-11-13-5-3-4-6-13/h7-8,10,12-13,16,18H,3-6,9,11H2,1-2H3
InChIKeyDZBKCSSDJVVYIR-UHFFFAOYSA-N
XLogP2.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106027073
N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide
CID 106064775
N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106027031
5-[(propan-2-ylamino)methyl]-N-(1,3-thiazol-2-yl)pyridine-2-sulfonamide
CID 106031744
5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2-sulfonamide
CID 106094867
N-cyclooctyl-5-(methylaminomethyl)pyridine-2-sulfonamide
CID 106058846
2-bromo-N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106027265
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)pyridine-2-sulfonamide
CID 106077591
N-(cyclobutylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106024368
5-[(cyclopropylamino)methyl]-N-(3-methylsulfanylbutyl)pyridine-2-sulfonamide
CID 106082374
N-(cyclobutylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62855473
5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide
CID 97217875

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide (CID 106026792) is N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide is CC(C)NCc1ccc(S(=O)(=O)NCC2CCCC2)nc1.
What is the InChIKey of N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide?
The InChIKey is DZBKCSSDJVVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-12(2)16-9-14-7-8-15(17-10-14)21(19,20)18-11-13-5-3-4-6-13/h7-8,10,12-13,16,18H,3-6,9,11H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide?
N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-5-[(propan-2-ylamino)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 106026792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).