N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide

C11H21NO2S — CID 65113716

IUPACN-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C11H21NO2S/c1-15-8-5-10(13)12-9-11(14)6-3-2-4-7-11/h14H,2-9H2,1H3,(H,12,13)
InChIKeyLSNWLDRKAPQSFV-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.55
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide

N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide (PubChem CID 65113716) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
PubChem CID65113716
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C11H21NO2S/c1-15-8-5-10(13)12-9-11(14)6-3-2-4-7-11/h14H,2-9H2,1H3,(H,12,13)
InChIKeyLSNWLDRKAPQSFV-UHFFFAOYSA-N
XLogP1.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide (CID 65113716) is N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide?
The InChIKey is LSNWLDRKAPQSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15-8-5-10(13)12-9-11(14)6-3-2-4-7-11/h14H,2-9H2,1H3,(H,12,13).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide?
N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide has a molecular weight of 231.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 65113716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).