N-(1-methylcyclohexyl)-3-sulfanylpropanamide

C10H19NOS — CID 107027315

IUPACN-(1-methylcyclohexyl)-3-sulfanylpropanamide
SMILESCC1(NC(=O)CCS)CCCCC1
InChIInChI=1S/C10H19NOS/c1-10(6-3-2-4-7-10)11-9(12)5-8-13/h13H,2-8H2,1H3,(H,11,12)
InChIKeyWWARBTMYBHVHHR-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.15
Rot. Bonds3

About N-(1-methylcyclohexyl)-3-sulfanylpropanamide

N-(1-methylcyclohexyl)-3-sulfanylpropanamide (PubChem CID 107027315) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(1-methylcyclohexyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-methylcyclohexyl)-3-sulfanylpropanamide
PubChem CID107027315
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-(1-methylcyclohexyl)-3-sulfanylpropanamide
SMILESCC1(NC(=O)CCS)CCCCC1
InChIInChI=1S/C10H19NOS/c1-10(6-3-2-4-7-10)11-9(12)5-8-13/h13H,2-8H2,1H3,(H,11,12)
InChIKeyWWARBTMYBHVHHR-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-methylcyclopropyl)-4-sulfanylbutanamide
CID 130595662
N-(1-methylcyclopentyl)-2-methylsulfanylacetamide
CID 131154660
N-(1-methylcyclopentyl)pent-4-ynamide
CID 130688553
N-(1-methylcyclobutyl)propanamide
CID 115766065
N-(1-methylcyclohexyl)-3-piperidin-4-ylpropanamide
CID 62211330
2-(1-aminocyclopentyl)-N-(1-methylcyclopentyl)acetamide
CID 64677004
N-(1-methylcyclohexyl)-2-sulfanylpropanamide
CID 107027312
2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 113485316
3-amino-3-hydroxyimino-N-(1-methylcyclopentyl)propanamide
CID 77051955
2-(3-methylazetidin-3-yl)oxy-N-(1-methylcyclohexyl)acetamide
CID 102611433
3,3-dimethyl-5-[(1-methylcyclopentyl)amino]-5-oxopentanoic acid
CID 62934594
2-(dimethylamino)-N-(1-methylcyclopropyl)acetamide
CID 126991382

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclohexyl)-3-sulfanylpropanamide?
The IUPAC name of N-(1-methylcyclohexyl)-3-sulfanylpropanamide (CID 107027315) is N-(1-methylcyclohexyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-(1-methylcyclohexyl)-3-sulfanylpropanamide?
The canonical SMILES for N-(1-methylcyclohexyl)-3-sulfanylpropanamide is CC1(NC(=O)CCS)CCCCC1.
What is the InChIKey of N-(1-methylcyclohexyl)-3-sulfanylpropanamide?
The InChIKey is WWARBTMYBHVHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-10(6-3-2-4-7-10)11-9(12)5-8-13/h13H,2-8H2,1H3,(H,11,12).
What are the key properties of N-(1-methylcyclohexyl)-3-sulfanylpropanamide?
N-(1-methylcyclohexyl)-3-sulfanylpropanamide has a molecular weight of 201.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohexyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107027315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).