2-cyclobutylethyl(methyl)carbamothioic S-acid

C8H15NOS — CID 115170497

IUPAC2-cyclobutylethyl(methyl)carbamothioic S-acid
SMILESCN(CCC1CCC1)C(=O)S
InChIInChI=1S/C8H15NOS/c1-9(8(10)11)6-5-7-3-2-4-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyDFKSBIDTICXNAS-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.16
Rot. Bonds3

About 2-cyclobutylethyl(methyl)carbamothioic S-acid

2-cyclobutylethyl(methyl)carbamothioic S-acid (PubChem CID 115170497) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2-cyclobutylethyl(methyl)carbamothioic S-acid.

Molecular Properties

Compound Name2-cyclobutylethyl(methyl)carbamothioic S-acid
PubChem CID115170497
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2-cyclobutylethyl(methyl)carbamothioic S-acid
SMILESCN(CCC1CCC1)C(=O)S
InChIInChI=1S/C8H15NOS/c1-9(8(10)11)6-5-7-3-2-4-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyDFKSBIDTICXNAS-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclobutylethyl)-1-methylurea
CID 115168733
N-(2-cyclopentylethyl)-N-methyl-2-sulfanylacetamide
CID 115167537
3-chloro-N-(2-cyclobutylethyl)-N-methylpropanamide
CID 115162722
1-(2-cyclopentylethyl)-1,3-dimethylurea
CID 115169542
3-amino-N-(2-cyclobutylethyl)-N,2,2-trimethylpropanamide
CID 115154782
N-(2-cyclopropylethyl)-N-methylacetamide
CID 130751028
1,3-bis(2-cyclopentylethyl)-1,3-dimethylthiourea
CID 18716766
3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164079
2-cyano-N-(2-cyclopentylethyl)-N-methylacetamide
CID 115173391
4-amino-N-(2-cyclobutylethyl)-N-methylbenzamide
CID 115161061
N-(2-cyclohexylethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 115165847
N-(2-cyclohexylethyl)-4-hydroxy-N-methylbutanamide
CID 115163166

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl(methyl)carbamothioic S-acid?
The IUPAC name of 2-cyclobutylethyl(methyl)carbamothioic S-acid (CID 115170497) is 2-cyclobutylethyl(methyl)carbamothioic S-acid.
What is the SMILES notation for 2-cyclobutylethyl(methyl)carbamothioic S-acid?
The canonical SMILES for 2-cyclobutylethyl(methyl)carbamothioic S-acid is CN(CCC1CCC1)C(=O)S.
What is the InChIKey of 2-cyclobutylethyl(methyl)carbamothioic S-acid?
The InChIKey is DFKSBIDTICXNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-9(8(10)11)6-5-7-3-2-4-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-cyclobutylethyl(methyl)carbamothioic S-acid?
2-cyclobutylethyl(methyl)carbamothioic S-acid has a molecular weight of 173.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl(methyl)carbamothioic S-acid is sourced from PubChem (CID 115170497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).