N-(1-carbamothioylcyclohexyl)octanamide

C15H28N2OS — CID 61120541

IUPACN-(1-carbamothioylcyclohexyl)octanamide
SMILESCCCCCCCC(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C15H28N2OS/c1-2-3-4-5-7-10-13(18)17-15(14(16)19)11-8-6-9-12-15/h2-12H2,1H3,(H2,16,19)(H,17,18)
InChIKeyIANBLLQPFIMCLB-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.45
Rot. Bonds8

About N-(1-carbamothioylcyclohexyl)octanamide

N-(1-carbamothioylcyclohexyl)octanamide (PubChem CID 61120541) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)octanamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)octanamide
PubChem CID61120541
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-(1-carbamothioylcyclohexyl)octanamide
SMILESCCCCCCCC(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C15H28N2OS/c1-2-3-4-5-7-10-13(18)17-15(14(16)19)11-8-6-9-12-15/h2-12H2,1H3,(H2,16,19)(H,17,18)
InChIKeyIANBLLQPFIMCLB-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-carbamothioylcyclohexyl)heptanamide
CID 114752752
N-(1-carbamothioylcyclopentyl)hexanamide
CID 61121113
N-(4-carbamothioyl-1-methylpiperidin-4-yl)heptanamide
CID 114752760
1-(nonanoylamino)cyclohexane-1-carboxylic acid
CID 43350921
1-(nonanoylamino)cycloheptane-1-carboxylic acid
CID 43172633
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
N-(1-carbamothioylcyclohexyl)-4-methylpentanamide
CID 61121329
N-(1-carbamothioylcyclohexyl)-3-ethoxypropanamide
CID 55091304
1-[[(E)-octadec-9-enoyl]amino]cyclohexane-1-carboxylic acid
CID 110188216
1-butyl-3-(1-carbamothioylcyclooctyl)urea
CID 61122376
N-(1-carbamothioylcyclohexyl)-2-propoxyacetamide
CID 107938915
N-(1-carbamothioylcyclooctyl)-2-ethoxyacetamide
CID 61123744

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)octanamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)octanamide (CID 61120541) is N-(1-carbamothioylcyclohexyl)octanamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)octanamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)octanamide is CCCCCCCC(=O)NC1(C(N)=S)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)octanamide?
The InChIKey is IANBLLQPFIMCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-2-3-4-5-7-10-13(18)17-15(14(16)19)11-8-6-9-12-15/h2-12H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of N-(1-carbamothioylcyclohexyl)octanamide?
N-(1-carbamothioylcyclohexyl)octanamide has a molecular weight of 284.47 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)octanamide is sourced from PubChem (CID 61120541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).