1-(methylsulfamoylamino)cyclopentane-1-carbothioamide

C7H15N3O2S2 — CID 114808137

IUPAC1-(methylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCNS(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C7H15N3O2S2/c1-9-14(11,12)10-7(6(8)13)4-2-3-5-7/h9-10H,2-5H2,1H3,(H2,8,13)
InChIKeyUEJHPMQFGMRIPQ-UHFFFAOYSA-N
MW237.35 g/mol
LogP-0.36
Rot. Bonds4

About 1-(methylsulfamoylamino)cyclopentane-1-carbothioamide

1-(methylsulfamoylamino)cyclopentane-1-carbothioamide (PubChem CID 114808137) has the molecular formula C7H15N3O2S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(methylsulfamoylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(methylsulfamoylamino)cyclopentane-1-carbothioamide
PubChem CID114808137
Molecular FormulaC7H15N3O2S2
Molecular Weight237.35 g/mol
Exact Mass237.06
IUPAC Name1-(methylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESCNS(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C7H15N3O2S2/c1-9-14(11,12)10-7(6(8)13)4-2-3-5-7/h9-10H,2-5H2,1H3,(H2,8,13)
InChIKeyUEJHPMQFGMRIPQ-UHFFFAOYSA-N
XLogP-0.36
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 5-0.36
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-(Methanesulfonamido)cyclopentane-1-carbothioamide
CID 61122654
1-(Dimethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61122660
1-(Diethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 61124459
1-(Tert-butylsulfonylamino)cyclopentane-1-carbothioamide
CID 63689537
1-(Tert-butylsulfamoylamino)cyclopentane-1-carbothioamide
CID 113637070
1-(Ethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808136
1-(Propylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808138
1-(Propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808139
1-(Cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808140
1-(Methylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808143

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfamoylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(methylsulfamoylamino)cyclopentane-1-carbothioamide (CID 114808137) is 1-(methylsulfamoylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(methylsulfamoylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(methylsulfamoylamino)cyclopentane-1-carbothioamide is CNS(=O)(=O)NC1(C(N)=S)CCCC1.
What is the InChIKey of 1-(methylsulfamoylamino)cyclopentane-1-carbothioamide?
The InChIKey is UEJHPMQFGMRIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S2/c1-9-14(11,12)10-7(6(8)13)4-2-3-5-7/h9-10H,2-5H2,1H3,(H2,8,13).
What are the key properties of 1-(methylsulfamoylamino)cyclopentane-1-carbothioamide?
1-(methylsulfamoylamino)cyclopentane-1-carbothioamide has a molecular weight of 237.35 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfamoylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 114808137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).