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

C15H31N3O2S — CID 106027123

IUPACN-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCC(C)NCC1CCCCN1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C15H31N3O2S/c1-13(2)16-12-15-9-5-6-10-18(15)21(19,20)17-11-14-7-3-4-8-14/h13-17H,3-12H2,1-2H3
InChIKeyKGOAJOHETKWNFR-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.86
Rot. Bonds7

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

N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (PubChem CID 106027123) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
PubChem CID106027123
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
SMILESCC(C)NCC1CCCCN1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C15H31N3O2S/c1-13(2)16-12-15-9-5-6-10-18(15)21(19,20)17-11-14-7-3-4-8-14/h13-17H,3-12H2,1-2H3
InChIKeyKGOAJOHETKWNFR-UHFFFAOYSA-N
XLogP1.86
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxypropyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 102701704
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106059248
N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106075381
N-(4-methylsulfanylbutyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106078191
N-[2-[ethyl(methyl)amino]ethyl]-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106055934
N-(3-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551856
N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106080313
N-[[1-(2-propan-2-yloxyethylsulfonyl)piperidin-2-yl]methyl]propan-2-amine
CID 79599985
1-(cyclopentylmethylsulfamoyl)piperidine-2-carboxylic acid
CID 60857626
2-[(tert-butylamino)methyl]-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816832
N-[[1-(3-methoxypyrrolidin-1-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 103541485
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816835

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide (CID 106027123) is N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is CC(C)NCC1CCCCN1S(=O)(=O)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
The InChIKey is KGOAJOHETKWNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-13(2)16-12-15-9-5-6-10-18(15)21(19,20)17-11-14-7-3-4-8-14/h13-17H,3-12H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide?
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106027123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).