N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide

C15H31N3O2S — CID 106067908

IUPACN-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)N2CCCC(CNC)C2)C1C
InChIInChI=1S/C15H31N3O2S/c1-4-14-7-8-15(12(14)2)17-21(19,20)18-9-5-6-13(11-18)10-16-3/h12-17H,4-11H2,1-3H3
InChIKeyUBGWKNPCMXZUEM-UHFFFAOYSA-N
MW317.50 g/mol
LogP1.58
Rot. Bonds6

About N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide

N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106067908) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106067908
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCC1CCC(NS(=O)(=O)N2CCCC(CNC)C2)C1C
InChIInChI=1S/C15H31N3O2S/c1-4-14-7-8-15(12(14)2)17-21(19,20)18-9-5-6-13(11-18)10-16-3/h12-17H,4-11H2,1-3H3
InChIKeyUBGWKNPCMXZUEM-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)piperidine-1-sulfonamide
CID 106017835
3-(methylaminomethyl)-N-[(4-methylcyclohexyl)methyl]piperidine-1-sulfonamide
CID 106062375
N-(2-ethylcyclohexyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106002916
N-(1-cyclopropylbutan-2-yl)-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106063964
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)methanamine;hydrochloride
CID 119961049
1-(1-cyclopentylsulfonylpiperidin-3-yl)-N-methylmethanamine
CID 115752117
3-(methylaminomethyl)-N-(2-methylpentan-2-yl)piperidine-1-sulfonamide
CID 106079419
N-[1-(diethylamino)propan-2-yl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106052235
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
3-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093726
N-(2-bicyclo[2.2.1]heptanyl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106067763
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide (CID 106067908) is N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide is CCC1CCC(NS(=O)(=O)N2CCCC(CNC)C2)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is UBGWKNPCMXZUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-4-14-7-8-15(12(14)2)17-21(19,20)18-9-5-6-13(11-18)10-16-3/h12-17H,4-11H2,1-3H3.
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide?
N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 317.50 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-3-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106067908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).