N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide

C12H22N2O2S — CID 106135048

IUPACN-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1CSCCN1
InChIInChI=1S/C12H22N2O2S/c15-10-3-1-2-9(6-10)7-14-12(16)11-8-17-5-4-13-11/h9-11,13,15H,1-8H2,(H,14,16)
InChIKeyAHYMKYOCQYXXBT-UHFFFAOYSA-N
MW258.39 g/mol
LogP0.36
Rot. Bonds3

About N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide

N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide (PubChem CID 106135048) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide
PubChem CID106135048
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1CSCCN1
InChIInChI=1S/C12H22N2O2S/c15-10-3-1-2-9(6-10)7-14-12(16)11-8-17-5-4-13-11/h9-11,13,15H,1-8H2,(H,14,16)
InChIKeyAHYMKYOCQYXXBT-UHFFFAOYSA-N
XLogP0.36
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]thiomorpholine-3-carboxamide
CID 82908667
N-[(3-hydroxycyclobutyl)methyl]azetidine-2-carboxamide
CID 127007560
N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
CID 103712034
(2S)-N-(thiolan-3-ylmethyl)piperidine-2-carboxamide
CID 107296038
4-ethyl-N-[(3-hydroxycyclopentyl)methyl]piperidine-2-carboxamide
CID 114148003
N-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-3-carboxamide
CID 82917561
(2R)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796004
(2S)-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide
CID 103796007
4-methyl-N-[(3-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 114130671
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
N-(cyclobutylmethyl)azepane-2-carboxamide
CID 64564563
N-(2,2,3,3-tetrafluoropropyl)thiomorpholine-3-carboxamide
CID 106291830

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide (CID 106135048) is N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide is O=C(NCC1CCCC(O)C1)C1CSCCN1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide?
The InChIKey is AHYMKYOCQYXXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c15-10-3-1-2-9(6-10)7-14-12(16)11-8-17-5-4-13-11/h9-11,13,15H,1-8H2,(H,14,16).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide has a molecular weight of 258.39 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 106135048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).