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

C12H21NO2S — CID 103712034

IUPACN-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1CCCS1
InChIInChI=1S/C12H21NO2S/c14-10-4-1-3-9(7-10)8-13-12(15)11-5-2-6-16-11/h9-11,14H,1-8H2,(H,13,15)
InChIKeyKVEVFYSTICOEOV-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.55
Rot. Bonds3

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

N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide (PubChem CID 103712034) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
PubChem CID103712034
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1CCCS1
InChIInChI=1S/C12H21NO2S/c14-10-4-1-3-9(7-10)8-13-12(15)11-5-2-6-16-11/h9-11,14H,1-8H2,(H,13,15)
InChIKeyKVEVFYSTICOEOV-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclobutyl)methyl]thiolane-2-carboxamide
CID 66006893
N-[(3-hydroxycyclopentyl)methyl]thiane-2-carboxamide
CID 103280631
N-[(3-hydroxycyclobutyl)methyl]thiane-2-carboxamide
CID 80595405
N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide
CID 106135048
N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide
CID 114303282
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111505319
N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106135216
N-[(3-hydroxycyclohexyl)methyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 111470364
2-cyclobutyl-1-(thiolan-2-yl)ethanone
CID 80621574
N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 113241320
2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106135166

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide (CID 103712034) is N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide is O=C(NCC1CCCC(O)C1)C1CCCS1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide?
The InChIKey is KVEVFYSTICOEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c14-10-4-1-3-9(7-10)8-13-12(15)11-5-2-6-16-11/h9-11,14H,1-8H2,(H,13,15).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide has a molecular weight of 243.37 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide is sourced from PubChem (CID 103712034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).