N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide

C15H31N3O2S — CID 114551858

IUPACN-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCC1CCC(NS(=O)(=O)N2CCCC(CNC(C)C)C2)C1
InChIInChI=1S/C15H31N3O2S/c1-12(2)16-10-14-5-4-8-18(11-14)21(19,20)17-15-7-6-13(3)9-15/h12-17H,4-11H2,1-3H3
InChIKeyMQANZROVKZGNHX-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.72
Rot. Bonds6

About N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide

N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (PubChem CID 114551858) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
PubChem CID114551858
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCC1CCC(NS(=O)(=O)N2CCCC(CNC(C)C)C2)C1
InChIInChI=1S/C15H31N3O2S/c1-12(2)16-10-14-5-4-8-18(11-14)21(19,20)17-15-7-6-13(3)9-15/h12-17H,4-11H2,1-3H3
InChIKeyMQANZROVKZGNHX-UHFFFAOYSA-N
XLogP1.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylcyclopentyl)-3-(propylaminomethyl)piperidine-1-sulfonamide
CID 114552073
3-[(propan-2-ylamino)methyl]-N-(thian-4-yl)piperidine-1-sulfonamide
CID 106084500
N-(3-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551856
N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
CID 114803111
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
1-cyclopentyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 79609473
N-[[1-(3-methylcyclopentyl)piperidin-3-yl]methyl]propan-2-amine
CID 64514748
3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835
N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241472
cis-(1R,3S)-3-[(3-methylpiperidin-1-yl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 114173287
4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]sulfonylbutanoic acid
CID 63241611
3-(hydroxymethyl)-N-(3-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106001719

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (CID 114551858) is N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is CC1CCC(NS(=O)(=O)N2CCCC(CNC(C)C)C2)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The InChIKey is MQANZROVKZGNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-12(2)16-10-14-5-4-8-18(11-14)21(19,20)17-15-7-6-13(3)9-15/h12-17H,4-11H2,1-3H3.
What are the key properties of N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-3-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 114551858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).