N-(1-carbamothioylcyclohexyl)heptanamide

C14H26N2OS — CID 114752752

IUPACN-(1-carbamothioylcyclohexyl)heptanamide
SMILESCCCCCCC(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C14H26N2OS/c1-2-3-4-6-9-12(17)16-14(13(15)18)10-7-5-8-11-14/h2-11H2,1H3,(H2,15,18)(H,16,17)
InChIKeyDKBZPJHSDBZEEX-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.06
Rot. Bonds7

About N-(1-carbamothioylcyclohexyl)heptanamide

N-(1-carbamothioylcyclohexyl)heptanamide (PubChem CID 114752752) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)heptanamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)heptanamide
PubChem CID114752752
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-(1-carbamothioylcyclohexyl)heptanamide
SMILESCCCCCCC(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C14H26N2OS/c1-2-3-4-6-9-12(17)16-14(13(15)18)10-7-5-8-11-14/h2-11H2,1H3,(H2,15,18)(H,16,17)
InChIKeyDKBZPJHSDBZEEX-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.06
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)octanamide
CID 61120541
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)heptanamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)heptanamide (CID 114752752) is N-(1-carbamothioylcyclohexyl)heptanamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)heptanamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)heptanamide is CCCCCCC(=O)NC1(C(N)=S)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)heptanamide?
The InChIKey is DKBZPJHSDBZEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-2-3-4-6-9-12(17)16-14(13(15)18)10-7-5-8-11-14/h2-11H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of N-(1-carbamothioylcyclohexyl)heptanamide?
N-(1-carbamothioylcyclohexyl)heptanamide has a molecular weight of 270.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)heptanamide is sourced from PubChem (CID 114752752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).