1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide

C8H16N2O4S3 — CID 82842928

IUPAC1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide
SMILESCS(=O)(=O)CS(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C8H16N2O4S3/c1-16(11,12)6-17(13,14)10-8(7(9)15)4-2-3-5-8/h10H,2-6H2,1H3,(H2,9,15)
InChIKeyATXGUYUSZZGYBJ-UHFFFAOYSA-N
MW300.43 g/mol
LogP-0.49
Rot. Bonds5

About 1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide

1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide (PubChem CID 82842928) has the molecular formula C8H16N2O4S3 and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide
PubChem CID82842928
Molecular FormulaC8H16N2O4S3
Molecular Weight300.43 g/mol
Exact Mass300.03
IUPAC Name1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide
SMILESCS(=O)(=O)CS(=O)(=O)NC1(C(N)=S)CCCC1
InChIInChI=1S/C8H16N2O4S3/c1-16(11,12)6-17(13,14)10-8(7(9)15)4-2-3-5-8/h10H,2-6H2,1H3,(H2,9,15)
InChIKeyATXGUYUSZZGYBJ-UHFFFAOYSA-N
XLogP-0.49
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(methylsulfonylmethylsulfonylamino)cyclooctane-1-carbothioamide
CID 82842037
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82839909
1-(methylsulfonylmethylsulfonylamino)cyclopropane-1-carboxylic acid
CID 82840389
1-(3-methylbutylsulfonylamino)cyclohexane-1-carbothioamide
CID 63856598
1-(sulfamoylamino)cyclopentane-1-carbothioamide
CID 114959145
1-(2-ethoxyethylsulfonylamino)cyclooctane-1-carbothioamide
CID 63245658
1-(methylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114808143
1-(ethylsulfamoylamino)cycloheptane-1-carbothioamide
CID 114808160
1-(ethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61122472
1-(cyclohexylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123572
1-(2-pyridin-4-ylethylsulfonylamino)cyclohexane-1-carbothioamide
CID 61124065
1-(cyclohexylmethylsulfonylamino)-4-methylcyclohexane-1-carbothioamide
CID 61453926

Frequently Asked Questions

What is the IUPAC name of 1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide (CID 82842928) is 1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide is CS(=O)(=O)CS(=O)(=O)NC1(C(N)=S)CCCC1.
What is the InChIKey of 1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide?
The InChIKey is ATXGUYUSZZGYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S3/c1-16(11,12)6-17(13,14)10-8(7(9)15)4-2-3-5-8/h10H,2-6H2,1H3,(H2,9,15).
What are the key properties of 1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide?
1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide has a molecular weight of 300.43 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylsulfonylmethylsulfonylamino)cyclopentane-1-carbothioamide is sourced from PubChem (CID 82842928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).