[1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol

C13H25NOS — CID 107133800

IUPAC[1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol
SMILESCC1CCCC(CN)(C(O)C2CCSC2)C1
InChIInChI=1S/C13H25NOS/c1-10-3-2-5-13(7-10,9-14)12(15)11-4-6-16-8-11/h10-12,15H,2-9,14H2,1H3
InChIKeyQDLKLNAOULEMIH-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.26
Rot. Bonds3

About [1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol

[1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol (PubChem CID 107133800) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol
PubChem CID107133800
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name[1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol
SMILESCC1CCCC(CN)(C(O)C2CCSC2)C1
InChIInChI=1S/C13H25NOS/c1-10-3-2-5-13(7-10,9-14)12(15)11-4-6-16-8-11/h10-12,15H,2-9,14H2,1H3
InChIKeyQDLKLNAOULEMIH-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-4-tert-butylcyclohexyl]-(thiolan-3-yl)methanol
CID 107133817
[1-(aminomethyl)-3-methylcyclopentyl]-(oxan-3-yl)methanol
CID 79138103
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylthiophen-2-yl)methanol
CID 79137952
[1-(aminomethyl)cyclopropyl]-cyclopropylmethanol
CID 102551238
[1-(aminomethyl)-3-methylcyclohexyl]-(3,5-dimethoxyphenyl)methanol
CID 79123902
1-[hydroxy(thiolan-3-yl)methyl]-4-methylcyclohexane-1-carbonitrile
CID 107133776
[1-(aminomethyl)-3-methylcyclohexyl]-(4-bromo-5-chlorothiophen-2-yl)methanol
CID 102845386
[1-(aminomethyl)-3-methylcyclopentyl]-(3,5-dimethylcyclohex-3-en-1-yl)methanol
CID 103277857
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79138054
[1-(aminomethyl)-3-methylcyclohexyl]-(4,5-dibromofuran-2-yl)methanol
CID 79134896
[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-(3-methylcyclohexyl)methanol
CID 79125813
[1-(aminomethyl)-4-methylcyclohexyl]-(4-tert-butylcyclohexyl)methanol
CID 104576136

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol?
The IUPAC name of [1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol (CID 107133800) is [1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol is CC1CCCC(CN)(C(O)C2CCSC2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol?
The InChIKey is QDLKLNAOULEMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-10-3-2-5-13(7-10,9-14)12(15)11-4-6-16-8-11/h10-12,15H,2-9,14H2,1H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol?
[1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol has a molecular weight of 243.42 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclohexyl]-(thiolan-3-yl)methanol is sourced from PubChem (CID 107133800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).