N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide

C11H21NO2S — CID 64929499

IUPACN-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC1CCCCC1O
InChIInChI=1S/C11H21NO2S/c1-15-7-6-11(14)12-8-9-4-2-3-5-10(9)13/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyHCDVARQBJXJUJL-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.41
Rot. Bonds5

About N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide

N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide (PubChem CID 64929499) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
PubChem CID64929499
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide
SMILESCSCCC(=O)NCC1CCCCC1O
InChIInChI=1S/C11H21NO2S/c1-15-7-6-11(14)12-8-9-4-2-3-5-10(9)13/h9-10,13H,2-8H2,1H3,(H,12,14)
InChIKeyHCDVARQBJXJUJL-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methylsulfanylpropanamide
CID 114317161
N-[(2-hydroxycyclohexyl)methyl]hexanamide
CID 64912157
3-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide;hydrochloride
CID 119330203
N-[(2-hydroxycyclohexyl)methyl]-2-(methylamino)acetamide
CID 64912652
5-bromo-N-[(2-hydroxycyclohexyl)methyl]pentanamide
CID 107910184
N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 64910772
N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64911137
2-(cyclopropylmethylamino)-N-[(2-hydroxycyclohexyl)methyl]acetamide;hydrochloride
CID 119795423
(3R)-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-3-pyrrol-1-ylbutanamide
CID 124858946
N-[(2-hydroxycyclohexyl)methyl]-3-pyrrol-1-ylbutanamide
CID 102554678
N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 80701579

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide (CID 64929499) is N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide is CSCCC(=O)NCC1CCCCC1O.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide?
The InChIKey is HCDVARQBJXJUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15-7-6-11(14)12-8-9-4-2-3-5-10(9)13/h9-10,13H,2-8H2,1H3,(H,12,14).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide?
N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide has a molecular weight of 231.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]-3-methylsulfanylpropanamide is sourced from PubChem (CID 64929499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).