N-(1-methylcyclohexyl)-2-sulfanylpropanamide

C10H19NOS — CID 107027312

IUPACN-(1-methylcyclohexyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC1(C)CCCCC1
InChIInChI=1S/C10H19NOS/c1-8(13)9(12)11-10(2)6-4-3-5-7-10/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyBOYFNJCPBLIQBG-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.14
Rot. Bonds2

About N-(1-methylcyclohexyl)-2-sulfanylpropanamide

N-(1-methylcyclohexyl)-2-sulfanylpropanamide (PubChem CID 107027312) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(1-methylcyclohexyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(1-methylcyclohexyl)-2-sulfanylpropanamide
PubChem CID107027312
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-(1-methylcyclohexyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC1(C)CCCCC1
InChIInChI=1S/C10H19NOS/c1-8(13)9(12)11-10(2)6-4-3-5-7-10/h8,13H,3-7H2,1-2H3,(H,11,12)
InChIKeyBOYFNJCPBLIQBG-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.14
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-Methylcyclohexyl)acetamide
CID 16641261
N-(1-methylcyclohexyl)butanamide
CID 61216660
2-methyl-N-(1-methylcyclohexyl)propanamide
CID 61216831
N-(1-methylcyclohexyl)propanamide
CID 61216834
N-(3-cyclohexylpentan-3-yl)-4-sulfanylbutanamide
CID 123720688
N-(1-ethylcyclohexyl)propanamide
CID 130965332
ethane;N-(1-methylcyclohexyl)acetamide
CID 142214233
N-(1-methylcyclohexyl)propanamide;molecular hydrogen
CID 145298233
N-(1,7-diamino-4-methylheptan-4-yl)-3-sulfanylpropanamide
CID 172240692
N-(1-methyl-2-methylsulfanylcyclohexyl)acetamide
CID 12770121
N-(1-carbamothioylcyclohexyl)propanamide
CID 61120920
3-amino-N-(1-methylcyclohexyl)-3-sulfanylidenepropanamide
CID 61870594

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclohexyl)-2-sulfanylpropanamide?
The IUPAC name of N-(1-methylcyclohexyl)-2-sulfanylpropanamide (CID 107027312) is N-(1-methylcyclohexyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(1-methylcyclohexyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(1-methylcyclohexyl)-2-sulfanylpropanamide is CC(S)C(=O)NC1(C)CCCCC1.
What is the InChIKey of N-(1-methylcyclohexyl)-2-sulfanylpropanamide?
The InChIKey is BOYFNJCPBLIQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8(13)9(12)11-10(2)6-4-3-5-7-10/h8,13H,3-7H2,1-2H3,(H,11,12).
What are the key properties of N-(1-methylcyclohexyl)-2-sulfanylpropanamide?
N-(1-methylcyclohexyl)-2-sulfanylpropanamide has a molecular weight of 201.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohexyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107027312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).