N-(1-carbamothioylcyclohexyl)propanamide

C10H18N2OS — CID 61120920

IUPACN-(1-carbamothioylcyclohexyl)propanamide
SMILESCCC(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C10H18N2OS/c1-2-8(13)12-10(9(11)14)6-4-3-5-7-10/h2-7H2,1H3,(H2,11,14)(H,12,13)
InChIKeyWLWVXJGEMPFQKR-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.50
Rot. Bonds3

About N-(1-carbamothioylcyclohexyl)propanamide

N-(1-carbamothioylcyclohexyl)propanamide (PubChem CID 61120920) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(1-carbamothioylcyclohexyl)propanamide.

Molecular Properties

Compound NameN-(1-carbamothioylcyclohexyl)propanamide
PubChem CID61120920
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-(1-carbamothioylcyclohexyl)propanamide
SMILESCCC(=O)NC1(C(N)=S)CCCCC1
InChIInChI=1S/C10H18N2OS/c1-2-8(13)12-10(9(11)14)6-4-3-5-7-10/h2-7H2,1H3,(H2,11,14)(H,12,13)
InChIKeyWLWVXJGEMPFQKR-UHFFFAOYSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.50
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

N-(1-carbamothioyl-4-methylcyclohexyl)-3,3,3-trifluoropropanamide
CID 61119158
N-(1-carbamothioyl-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide
CID 61120625
N-(1-carbamothioylcyclohexyl)-3,3,3-trifluoropropanamide
CID 61120916
N-(1-carbamothioylcyclohexyl)-4,4,4-trifluorobutanamide
CID 65712358
N-(1-carbamothioyl-4-methylcyclohexyl)-4,4,4-trifluorobutanamide
CID 65712359
N-(3-carbamothioylpentan-3-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931250
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931304
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 81931487
N-(1-carbamothioylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309895
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226305
N-(1-carbamothioylcyclooctyl)pentanamide
CID 54980662
N-(1-carbamothioyl-4-ethylcyclohexyl)-2-cyclopropylacetamide
CID 55031839

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioylcyclohexyl)propanamide?
The IUPAC name of N-(1-carbamothioylcyclohexyl)propanamide (CID 61120920) is N-(1-carbamothioylcyclohexyl)propanamide.
What is the SMILES notation for N-(1-carbamothioylcyclohexyl)propanamide?
The canonical SMILES for N-(1-carbamothioylcyclohexyl)propanamide is CCC(=O)NC1(C(N)=S)CCCCC1.
What is the InChIKey of N-(1-carbamothioylcyclohexyl)propanamide?
The InChIKey is WLWVXJGEMPFQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-8(13)12-10(9(11)14)6-4-3-5-7-10/h2-7H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of N-(1-carbamothioylcyclohexyl)propanamide?
N-(1-carbamothioylcyclohexyl)propanamide has a molecular weight of 214.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioylcyclohexyl)propanamide is sourced from PubChem (CID 61120920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).