2-(methanesulfonamido)cyclopentane-1-carbothioamide

C7H14N2O2S2 — CID 62957625

IUPAC2-(methanesulfonamido)cyclopentane-1-carbothioamide
SMILESCS(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C7H14N2O2S2/c1-13(10,11)9-6-4-2-3-5(6)7(8)12/h5-6,9H,2-4H2,1H3,(H2,8,12)
InChIKeyASUMNKXRPHDAAE-UHFFFAOYSA-N
MW222.33 g/mol
LogP-0.01
Rot. Bonds3

About 2-(methanesulfonamido)cyclopentane-1-carbothioamide

2-(methanesulfonamido)cyclopentane-1-carbothioamide (PubChem CID 62957625) has the molecular formula C7H14N2O2S2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(methanesulfonamido)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name2-(methanesulfonamido)cyclopentane-1-carbothioamide
PubChem CID62957625
Molecular FormulaC7H14N2O2S2
Molecular Weight222.33 g/mol
Exact Mass222.05
IUPAC Name2-(methanesulfonamido)cyclopentane-1-carbothioamide
SMILESCS(=O)(=O)NC1CCCC1C(N)=S
InChIInChI=1S/C7H14N2O2S2/c1-13(10,11)9-6-4-2-3-5(6)7(8)12/h5-6,9H,2-4H2,1H3,(H2,8,12)
InChIKeyASUMNKXRPHDAAE-UHFFFAOYSA-N
XLogP-0.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)cyclopentane-1-carbothioamide?
The IUPAC name of 2-(methanesulfonamido)cyclopentane-1-carbothioamide (CID 62957625) is 2-(methanesulfonamido)cyclopentane-1-carbothioamide.
What is the SMILES notation for 2-(methanesulfonamido)cyclopentane-1-carbothioamide?
The canonical SMILES for 2-(methanesulfonamido)cyclopentane-1-carbothioamide is CS(=O)(=O)NC1CCCC1C(N)=S.
What is the InChIKey of 2-(methanesulfonamido)cyclopentane-1-carbothioamide?
The InChIKey is ASUMNKXRPHDAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S2/c1-13(10,11)9-6-4-2-3-5(6)7(8)12/h5-6,9H,2-4H2,1H3,(H2,8,12).
What are the key properties of 2-(methanesulfonamido)cyclopentane-1-carbothioamide?
2-(methanesulfonamido)cyclopentane-1-carbothioamide has a molecular weight of 222.33 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)cyclopentane-1-carbothioamide is sourced from PubChem (CID 62957625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).