N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

C14H24N2O3S2 — CID 106093026

IUPACN-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCOC1CCC(NS(=O)(=O)c2ccsc2CNC(C)C)C1
InChIInChI=1S/C14H24N2O3S2/c1-10(2)15-9-13-14(6-7-20-13)21(17,18)16-11-4-5-12(8-11)19-3/h6-7,10-12,15-16H,4-5,8-9H2,1-3H3
InChIKeyCQKPJHZORZFXRF-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.09
Rot. Bonds7

About N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide

N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (PubChem CID 106093026) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
PubChem CID106093026
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC NameN-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
SMILESCOC1CCC(NS(=O)(=O)c2ccsc2CNC(C)C)C1
InChIInChI=1S/C14H24N2O3S2/c1-10(2)15-9-13-14(6-7-20-13)21(17,18)16-11-4-5-12(8-11)19-3/h6-7,10-12,15-16H,4-5,8-9H2,1-3H3
InChIKeyCQKPJHZORZFXRF-UHFFFAOYSA-N
XLogP2.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylaminomethyl)-N-(3-methoxycyclopentyl)thiophene-3-sulfonamide
CID 106093062
2-[(propan-2-ylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084380
N-(oxolan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106072385
N-(oxan-3-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106065252
2-[(propan-2-ylamino)methyl]-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081448
N-(2-methylcyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106064258
N-(1-methoxybutan-2-yl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106068260
N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091523
N-(3-methylbutyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106059096
N-(3-methylcyclohexyl)-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 106027355
N-(4-chlorophenyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106060779
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)thiophene-3-sulfonamide
CID 106030004

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The IUPAC name of N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide (CID 106093026) is N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is COC1CCC(NS(=O)(=O)c2ccsc2CNC(C)C)C1.
What is the InChIKey of N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
The InChIKey is CQKPJHZORZFXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-10(2)15-9-13-14(6-7-20-13)21(17,18)16-11-4-5-12(8-11)19-3/h6-7,10-12,15-16H,4-5,8-9H2,1-3H3.
What are the key properties of N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide?
N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide has a molecular weight of 332.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclopentyl)-2-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106093026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).