2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide

C12H18N2OS2 — CID 113270556

IUPAC2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide
SMILESCCC(C)(C(=O)NCCc1ccsc1)C(N)=S
InChIInChI=1S/C12H18N2OS2/c1-3-12(2,10(13)16)11(15)14-6-4-9-5-7-17-8-9/h5,7-8H,3-4,6H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyXFTYTGIIJPRYPS-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.11
Rot. Bonds6

About 2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide

2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide (PubChem CID 113270556) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide
PubChem CID113270556
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide
SMILESCCC(C)(C(=O)NCCc1ccsc1)C(N)=S
InChIInChI=1S/C12H18N2OS2/c1-3-12(2,10(13)16)11(15)14-6-4-9-5-7-17-8-9/h5,7-8H,3-4,6H2,1-2H3,(H2,13,16)(H,14,15)
InChIKeyXFTYTGIIJPRYPS-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2,2-dimethyl-N-(2-thiophen-3-ylethyl)propanamide
CID 81489154
2-ethoxy-2-methyl-N-(2-thiophen-3-ylethyl)propanamide
CID 145215422
2-carbamothioyl-N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylbutanamide
CID 106035479
2-carbamothioyl-N-[2-(3-methoxyphenyl)ethyl]-2-methylbutanamide
CID 107854485
2,2,2-trifluoro-N-(2-thiophen-3-ylethyl)acetamide
CID 62726521
2-carbamothioyl-2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]butanamide
CID 106381468
3-amino-3-hydroxyimino-N-(2-thiophen-3-ylethyl)propanamide
CID 61475450
2-amino-3-methyl-N-(2-thiophen-3-ylethyl)butanamide;hydrochloride
CID 119288925
4-(ethylamino)-N-(2-thiophen-3-ylethyl)benzamide
CID 62173994
(2S)-2-ethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94775939
2-carbamothioyl-N-(2,2-dimethylbutyl)-2-methylbutanamide
CID 103461801
3-amino-2,2-dimethyl-3-sulfanylidene-N-thiophen-3-ylpropanamide
CID 66354566

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide?
The IUPAC name of 2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide (CID 113270556) is 2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide.
What is the SMILES notation for 2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide?
The canonical SMILES for 2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide is CCC(C)(C(=O)NCCc1ccsc1)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide?
The InChIKey is XFTYTGIIJPRYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-3-12(2,10(13)16)11(15)14-6-4-9-5-7-17-8-9/h5,7-8H,3-4,6H2,1-2H3,(H2,13,16)(H,14,15).
What are the key properties of 2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide?
2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide has a molecular weight of 270.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-methyl-N-(2-thiophen-3-ylethyl)butanamide is sourced from PubChem (CID 113270556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).