1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide

C12H22N2O2S2 — CID 61122261

IUPAC1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)C2CCCCC2)CCCC1
InChIInChI=1S/C12H22N2O2S2/c13-11(17)12(8-4-5-9-12)14-18(15,16)10-6-2-1-3-7-10/h10,14H,1-9H2,(H2,13,17)
InChIKeyNZMMVNHEJYPUIW-UHFFFAOYSA-N
MW290.45 g/mol
LogP1.84
Rot. Bonds4

About 1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide

1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 61122261) has the molecular formula C12H22N2O2S2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID61122261
Molecular FormulaC12H22N2O2S2
Molecular Weight290.45 g/mol
Exact Mass290.11
IUPAC Name1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)C2CCCCC2)CCCC1
InChIInChI=1S/C12H22N2O2S2/c13-11(17)12(8-4-5-9-12)14-18(15,16)10-6-2-1-3-7-10/h10,14H,1-9H2,(H2,13,17)
InChIKeyNZMMVNHEJYPUIW-UHFFFAOYSA-N
XLogP1.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(4,4,4-Trifluorobutylsulfonylamino)cyclopentane-1-carbothioamide
CID 83058503
1-(4,4,4-Trifluorobutylsulfonylamino)cyclohexane-1-carbothioamide
CID 83058633
2-(Cyclohexylmethylsulfonylamino)-2-methylbutanethioamide
CID 54947105
2-(Cyclohexylmethylsulfonylamino)-2-methylpropanethioamide
CID 54947890
1-(2-Methylsulfonylethylsulfonylamino)cyclohexane-1-carbothioamide
CID 55174274
1-(3-Methylbutylsulfonylamino)cyclopentane-1-carbothioamide
CID 55259381
N-[1-(aminomethyl)cyclopentyl]cyclohexanesulfonamide
CID 61065459
4-Methyl-1-(propylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122275
1-(Butylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122277
1-(Ethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122472
1-(Methanesulfonamido)cyclopentane-1-carbothioamide
CID 61122654
1-(Propan-2-ylsulfonylamino)cyclopentane-1-carbothioamide
CID 61122658

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide (CID 61122261) is 1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide is NC(=S)C1(NS(=O)(=O)C2CCCCC2)CCCC1.
What is the InChIKey of 1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is NZMMVNHEJYPUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S2/c13-11(17)12(8-4-5-9-12)14-18(15,16)10-6-2-1-3-7-10/h10,14H,1-9H2,(H2,13,17).
What are the key properties of 1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide?
1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 290.45 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 61122261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).