N-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide

C12H21NO2S — CID 65113812

IUPACN-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCSC1
InChIInChI=1S/C12H21NO2S/c14-11(10-4-7-16-8-10)13-9-12(15)5-2-1-3-6-12/h10,15H,1-9H2,(H,13,14)
InChIKeyOZAZEFHPRNFQEQ-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.55
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide

N-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide (PubChem CID 65113812) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
PubChem CID65113812
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCSC1
InChIInChI=1S/C12H21NO2S/c14-11(10-4-7-16-8-10)13-9-12(15)5-2-1-3-6-12/h10,15H,1-9H2,(H,13,14)
InChIKeyOZAZEFHPRNFQEQ-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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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide (CID 65113812) is N-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide is O=C(NCC1(O)CCCCC1)C1CCSC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide?
The InChIKey is OZAZEFHPRNFQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c14-11(10-4-7-16-8-10)13-9-12(15)5-2-1-3-6-12/h10,15H,1-9H2,(H,13,14).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]thiolane-3-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-[(1-hydroxycyclohexyl)methyl]thiolane-3-carboxamide is sourced from PubChem (CID 65113812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).