N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide

C14H29N3O2S2 — CID 106091551

IUPACN-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)N2CCCCC2CNC)C1
InChIInChI=1S/C14H29N3O2S2/c1-3-20-14-8-7-12(10-14)16-21(18,19)17-9-5-4-6-13(17)11-15-2/h12-16H,3-11H2,1-2H3
InChIKeyGCMPHINIJFYEGV-UHFFFAOYSA-N
MW335.54 g/mol
LogP1.57
Rot. Bonds7

About N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide

N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106091551) has the molecular formula C14H29N3O2S2 and a molecular weight of 335.54 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106091551
Molecular FormulaC14H29N3O2S2
Molecular Weight335.54 g/mol
Exact Mass335.17
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)N2CCCCC2CNC)C1
InChIInChI=1S/C14H29N3O2S2/c1-3-20-14-8-7-12(10-14)16-21(18,19)17-9-5-4-6-13(17)11-15-2/h12-16H,3-11H2,1-2H3
InChIKeyGCMPHINIJFYEGV-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106017718
N-(3-methylcyclopentyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 114551988
2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091786
N-(3-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 114551856
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077916
N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106071092
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106010976
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
CID 106066812
2-(propylaminomethyl)-N-(thian-3-yl)piperidine-1-sulfonamide
CID 106081477
2-(aminomethyl)-N-(2-ethylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106093444
1-[1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylsulfonyl)piperidin-2-yl]-N-methylmethanamine
CID 82751229

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide (CID 106091551) is N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide is CCSC1CCC(NS(=O)(=O)N2CCCCC2CNC)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is GCMPHINIJFYEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S2/c1-3-20-14-8-7-12(10-14)16-21(18,19)17-9-5-4-6-13(17)11-15-2/h12-16H,3-11H2,1-2H3.
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 335.54 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106091551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).