2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide

C14H26N2OS — CID 79362463

IUPAC2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
SMILESCC(C)C(C(=O)NCC1C(C)(C)C1(C)C)C(N)=S
InChIInChI=1S/C14H26N2OS/c1-8(2)10(11(15)18)12(17)16-7-9-13(3,4)14(9,5)6/h8-10H,7H2,1-6H3,(H2,15,18)(H,16,17)
InChIKeySKSHFTNOYHFZRL-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.34
Rot. Bonds5

About 2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide

2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide (PubChem CID 79362463) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide.

Molecular Properties

Compound Name2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
PubChem CID79362463
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
SMILESCC(C)C(C(=O)NCC1C(C)(C)C1(C)C)C(N)=S
InChIInChI=1S/C14H26N2OS/c1-8(2)10(11(15)18)12(17)16-7-9-13(3,4)14(9,5)6/h8-10H,7H2,1-6H3,(H2,15,18)(H,16,17)
InChIKeySKSHFTNOYHFZRL-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79358528
2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102906212
2-carbamothioyl-N-(2,2-difluoroethyl)-3-methylbutanamide
CID 115407171
(2R)-2-amino-3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 103930174
2-carbamothioyl-3-methyl-N-(7-methyloctyl)butanamide
CID 107815236
2-carbamothioyl-3-methyl-N-[(3-methylcyclohexyl)methyl]butanamide
CID 114130331
2-carbamothioyl-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 114138111
2-carbamothioyl-3-methyl-N-(5,5,5-trifluoropentyl)butanamide
CID 115519819
3-chloro-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propanamide
CID 79358044
(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79363377
2-carbamothioyl-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114139141
2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide
CID 103461803

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
The IUPAC name of 2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide (CID 79362463) is 2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide.
What is the SMILES notation for 2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
The canonical SMILES for 2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide is CC(C)C(C(=O)NCC1C(C)(C)C1(C)C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
The InChIKey is SKSHFTNOYHFZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-8(2)10(11(15)18)12(17)16-7-9-13(3,4)14(9,5)6/h8-10H,7H2,1-6H3,(H2,15,18)(H,16,17).
What are the key properties of 2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide?
2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide has a molecular weight of 270.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide is sourced from PubChem (CID 79362463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).