1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide

C9H17N3O2S2 — CID 114808140

IUPAC1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)NC2CC2)CCCC1
InChIInChI=1S/C9H17N3O2S2/c10-8(15)9(5-1-2-6-9)12-16(13,14)11-7-3-4-7/h7,11-12H,1-6H2,(H2,10,15)
InChIKeyRXJJFHCYBAGLLS-UHFFFAOYSA-N
MW263.39 g/mol
LogP0.17
Rot. Bonds5

About 1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide

1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide (PubChem CID 114808140) has the molecular formula C9H17N3O2S2 and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide
PubChem CID114808140
Molecular FormulaC9H17N3O2S2
Molecular Weight263.39 g/mol
Exact Mass263.08
IUPAC Name1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(NS(=O)(=O)NC2CC2)CCCC1
InChIInChI=1S/C9H17N3O2S2/c10-8(15)9(5-1-2-6-9)12-16(13,14)11-7-3-4-7/h7,11-12H,1-6H2,(H2,10,15)
InChIKeyRXJJFHCYBAGLLS-UHFFFAOYSA-N
XLogP0.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 50.17
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-[[Methyl(propan-2-yl)sulfamoyl]amino]cyclopentane-1-carbothioamide
CID 54947200
1-(Tert-butylsulfamoylamino)cyclopentane-1-carbothioamide
CID 113637070
1-(Cyclopropylsulfamoylamino)cycloheptane-1-carbothioamide
CID 113637076
1-(aminomethyl)-N-(cyclopropylsulfamoyl)cyclopentan-1-amine
CID 114803346
1-(Ethylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808136
1-(Methylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808137
1-(Propylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808138
1-(Propan-2-ylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808139
1-(Cyclopropylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808146
2-(Cyclopropylsulfamoylamino)-2-ethylbutanethioamide
CID 114808175
1-(Cyclopropylsulfamoylamino)cyclooctane-1-carbothioamide
CID 114808198
2-(Tert-butylsulfamoylamino)cyclopentane-1-carbothioamide
CID 114808330

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide (CID 114808140) is 1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide is NC(=S)C1(NS(=O)(=O)NC2CC2)CCCC1.
What is the InChIKey of 1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide?
The InChIKey is RXJJFHCYBAGLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S2/c10-8(15)9(5-1-2-6-9)12-16(13,14)11-7-3-4-7/h7,11-12H,1-6H2,(H2,10,15).
What are the key properties of 1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide?
1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide has a molecular weight of 263.39 g/mol, XLogP of 0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylsulfamoylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 114808140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).