N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide

C12H21NO2S — CID 64911749

IUPACN-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
SMILESO=C(NCC1CCCCC1O)C1CCSC1
InChIInChI=1S/C12H21NO2S/c14-11-4-2-1-3-9(11)7-13-12(15)10-5-6-16-8-10/h9-11,14H,1-8H2,(H,13,15)
InChIKeyGHRBZSNIMRISTO-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.41
Rot. Bonds3

About N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide

N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide (PubChem CID 64911749) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
PubChem CID64911749
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
SMILESO=C(NCC1CCCCC1O)C1CCSC1
InChIInChI=1S/C12H21NO2S/c14-11-4-2-1-3-9(11)7-13-12(15)10-5-6-16-8-10/h9-11,14H,1-8H2,(H,13,15)
InChIKeyGHRBZSNIMRISTO-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
N-[(4-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
CID 106123732
N-[(2-hydroxycyclohexyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119330198
N-[(2-hydroxycyclohexyl)methyl]oxane-3-carboxamide
CID 64911747
N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 79208729
N-[(3-chlorocyclohexyl)methyl]thiolane-3-carboxamide
CID 106131848
N-[(3-bromocyclohexyl)methyl]thiolane-3-carboxamide
CID 106132659
N-(2-oxopropyl)thiolane-3-carboxamide
CID 64997229
4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 64912183
N-[(2-hydroxycyclohexyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79002982
N-cyclopentylthiolane-3-carboxamide
CID 64592459

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide (CID 64911749) is N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide is O=C(NCC1CCCCC1O)C1CCSC1.
What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide?
The InChIKey is GHRBZSNIMRISTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c14-11-4-2-1-3-9(11)7-13-12(15)10-5-6-16-8-10/h9-11,14H,1-8H2,(H,13,15).
What are the key properties of N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide?
N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide has a molecular weight of 243.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclohexyl)methyl]thiolane-3-carboxamide is sourced from PubChem (CID 64911749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).