1-(sulfamoylamino)cyclopentane-1-carbothioamide

C6H13N3O2S2 — CID 114959145

IUPAC1-(sulfamoylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(N)(=O)=O)CCCC1
InChIInChI=1S/C6H13N3O2S2/c7-5(12)6(3-1-2-4-6)9-13(8,10)11/h9H,1-4H2,(H2,7,12)(H2,8,10,11)
InChIKeyBHYBPQFCWVFTCS-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.62
Rot. Bonds3

About 1-(sulfamoylamino)cyclopentane-1-carbothioamide

1-(sulfamoylamino)cyclopentane-1-carbothioamide (PubChem CID 114959145) has the molecular formula C6H13N3O2S2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(sulfamoylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(sulfamoylamino)cyclopentane-1-carbothioamide
PubChem CID114959145
Molecular FormulaC6H13N3O2S2
Molecular Weight223.32 g/mol
Exact Mass223.04
IUPAC Name1-(sulfamoylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(N)(=O)=O)CCCC1
InChIInChI=1S/C6H13N3O2S2/c7-5(12)6(3-1-2-4-6)9-13(8,10)11/h9H,1-4H2,(H2,7,12)(H2,8,10,11)
InChIKeyBHYBPQFCWVFTCS-UHFFFAOYSA-N
XLogP-0.62
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.62
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-(methylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808143
4-methyl-1-(sulfamoylamino)cyclohexane-1-carbothioamide
CID 114959147
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide
CID 82842928
1-(cyclohexylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123572
1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 114808160
1-(methylsulfonylmethylsulfonylamino)cyclooctane-1-carbothioamide
CID 82842037
1-(cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide
CID 114808198
1-(sulfamoylamino)cycloheptane-1-carboximidamide
CID 114959695
methyl 2-[(1-carbamothioylcycloheptyl)sulfamoyl]propanoate
CID 61458579
1-(3-methylbutylsulfonylamino)cyclohexane-1-carbothioamide
CID 63856598
1-(2-ethoxyethylsulfonylamino)cyclooctane-1-carbothioamide
CID 63245658
propan-2-yl N-[(1-carbamothioylcyclohexyl)sulfamoyl]carbamate
CID 114463540

Frequently Asked Questions

What is the IUPAC name of 1-(sulfamoylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(sulfamoylamino)cyclopentane-1-carbothioamide (CID 114959145) is 1-(sulfamoylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(sulfamoylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(sulfamoylamino)cyclopentane-1-carbothioamide is NC(=S)C1(NS(N)(=O)=O)CCCC1.
What is the InChIKey of 1-(sulfamoylamino)cyclopentane-1-carbothioamide?
The InChIKey is BHYBPQFCWVFTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S2/c7-5(12)6(3-1-2-4-6)9-13(8,10)11/h9H,1-4H2,(H2,7,12)(H2,8,10,11).
What are the key properties of 1-(sulfamoylamino)cyclopentane-1-carbothioamide?
1-(sulfamoylamino)cyclopentane-1-carbothioamide has a molecular weight of 223.32 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfamoylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 114959145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).