2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide

C14H26N2OS — CID 63657952

IUPAC2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide
SMILESCCC(CC)(C(=O)N(C)CC1CCCC1)C(N)=S
InChIInChI=1S/C14H26N2OS/c1-4-14(5-2,12(15)18)13(17)16(3)10-11-8-6-7-9-11/h11H,4-10H2,1-3H3,(H2,15,18)
InChIKeyZSUQOAUMLBXQNC-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.73
Rot. Bonds6

About 2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide

2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide (PubChem CID 63657952) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide.

Molecular Properties

Compound Name2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide
PubChem CID63657952
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide
SMILESCCC(CC)(C(=O)N(C)CC1CCCC1)C(N)=S
InChIInChI=1S/C14H26N2OS/c1-4-14(5-2,12(15)18)13(17)16(3)10-11-8-6-7-9-11/h11H,4-10H2,1-3H3,(H2,15,18)
InChIKeyZSUQOAUMLBXQNC-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclohexylmethyl)-2-ethyl-N-methylbutanamide
CID 79812390
3-amino-N-(cyclohexylmethyl)-N,2,2,3-tetramethylbutanamide
CID 65269620
2-carbamothioyl-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 113270652
4-amino-N-(cyclopentylmethyl)-N,2,2-trimethylbutanamide
CID 115157078
2-amino-N-(cyclopentylmethyl)-N,2-dimethylpentanamide;hydrochloride
CID 119759251
1-(cyclobutylmethyl)-1-methylurea
CID 62860439
N-(cyclohexylmethyl)-N,2-dimethyl-2-(methylamino)propanamide
CID 62845802
2-amino-N-(cyclopentylmethyl)-N-methylacetamide
CID 63657332
2-amino-N-(cyclobutylmethyl)-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79810672
cycloheptylmethyl(methyl)carbamic acid
CID 146255648
2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide
CID 79812019
2-carbamothioyl-N-[2-(cyclopropylmethoxy)ethyl]-2-ethylbutanamide
CID 114098052

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide?
The IUPAC name of 2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide (CID 63657952) is 2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide.
What is the SMILES notation for 2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide?
The canonical SMILES for 2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide is CCC(CC)(C(=O)N(C)CC1CCCC1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide?
The InChIKey is ZSUQOAUMLBXQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-14(5-2,12(15)18)13(17)16(3)10-11-8-6-7-9-11/h11H,4-10H2,1-3H3,(H2,15,18).
What are the key properties of 2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide?
2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide has a molecular weight of 270.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-N-(cyclopentylmethyl)-2-ethyl-N-methylbutanamide is sourced from PubChem (CID 63657952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).