1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide

C10H21N3O2S2 — CID 114815213

IUPAC1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCC(C)CNS(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C10H21N3O2S2/c1-8(2)7-12-17(14,15)13-10(9(11)16)5-3-4-6-10/h8,12-13H,3-7H2,1-2H3,(H2,11,16)
InChIKeyWJVOTHJKTTYQJK-UHFFFAOYSA-N
MW279.43 g/mol
LogP0.67
Rot. Bonds6

About 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide

1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide (PubChem CID 114815213) has the molecular formula C10H21N3O2S2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide
PubChem CID114815213
Molecular FormulaC10H21N3O2S2
Molecular Weight279.43 g/mol
Exact Mass279.11
IUPAC Name1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCC(C)CNS(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C10H21N3O2S2/c1-8(2)7-12-17(14,15)13-10(9(11)16)5-3-4-6-10/h8,12-13H,3-7H2,1-2H3,(H2,11,16)
InChIKeyWJVOTHJKTTYQJK-UHFFFAOYSA-N
XLogP0.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,2-Trifluoroethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808135
1-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 54947200
1-(Dimethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61122660
1-(Diethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61124459
2-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 62956960
2-(Dimethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 62957794
N-[1-(aminomethyl)cyclopentyl]-2-methylpropane-2-sulfonamide
CID 63687829
1-(Tert-butylsulfonylamino)cyclopentane-1-carbothioamide
CID 63689537
1-(Tert-butylsulfamoylamino)cyclopentane-1-carbothioamide
CID 113637070
1-(Propan-2-ylsulfamoylamino)cyclohexane-1-carbothioamide
CID 113637071
1-(Ethylsulfamoylamino)-4-methylcyclohexane-1-carbothioamide
CID 113637072
2-(2-Methylpropylsulfamoylamino)cyclopentane-1-carbothioamide
CID 113638064

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide (CID 114815213) is 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide is CC(C)CNS(=O)(=O)NC1(C(N)=S)CCCC1.
What is the InChIKey of 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide?
The InChIKey is WJVOTHJKTTYQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S2/c1-8(2)7-12-17(14,15)13-10(9(11)16)5-3-4-6-10/h8,12-13H,3-7H2,1-2H3,(H2,11,16).
What are the key properties of 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide?
1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide has a molecular weight of 279.43 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 114815213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).