N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide

C15H28N2OS — CID 63834334

IUPACN-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NC1(C(N)=S)CCCCC1)C(C)(C)C
InChIInChI=1S/C15H28N2OS/c1-11(14(2,3)4)10-12(18)17-15(13(16)19)8-6-5-7-9-15/h11H,5-10H2,1-4H3,(H2,16,19)(H,17,18)
InChIKeyYPYFXZLZWKEMGD-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.16
Rot. Bonds4

About N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide

N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide (PubChem CID 63834334) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide
PubChem CID63834334
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NC1(C(N)=S)CCCCC1)C(C)(C)C
InChIInChI=1S/C15H28N2OS/c1-11(14(2,3)4)10-12(18)17-15(13(16)19)8-6-5-7-9-15/h11H,5-10H2,1-4H3,(H2,16,19)(H,17,18)
InChIKeyYPYFXZLZWKEMGD-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-carbamothioylcyclohexyl)-4-methylpentanamide
CID 61121329
1-tert-butyl-3-(1-carbamothioylcyclooctyl)urea
CID 61122375
N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide
CID 61123744
N-(1-carbamothioylcyclohexyl)heptanamide
CID 114752752
N-(1-carbamothioylcyclohexyl)octanamide
CID 61120541
N-[1-(hydroxymethyl)cyclopropyl]-3,4,4-trimethylpentanamide
CID 115877710
N-(1-carbamothioylcyclopentyl)hexanamide
CID 61121113
3,4,4-trimethyl-N-(4-methylpiperidin-4-yl)pentanamide;hydrochloride
CID 120567172
N-(1-carbamothioylcyclohexyl)-3-ethoxypropanamide
CID 55091304
N-(1-carbamothioylcyclohexyl)-2-propoxyacetamide
CID 107938915
1-(1-carbamothioylcyclooctyl)-3-ethylurea
CID 61122567
N-(1-carbamothioylcycloheptyl)-2-propylpentanamide
CID 82984373

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide (CID 63834334) is N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide is CC(CC(=O)NC1(C(N)=S)CCCCC1)C(C)(C)C.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide?
The InChIKey is YPYFXZLZWKEMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-11(14(2,3)4)10-12(18)17-15(13(16)19)8-6-5-7-9-15/h11H,5-10H2,1-4H3,(H2,16,19)(H,17,18).
What are the key properties of N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide?
N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide has a molecular weight of 284.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 63834334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).