[1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol

C13H25NOS — CID 62271285

IUPAC[1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol
SMILESCN(CC1(CO)CCCCC1)C1CCSC1
InChIInChI=1S/C13H25NOS/c1-14(12-5-8-16-9-12)10-13(11-15)6-3-2-4-7-13/h12,15H,2-11H2,1H3
InChIKeyBKXCTTSKFQUFPK-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.37
Rot. Bonds4

About [1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol

[1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 62271285) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is [1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol
PubChem CID62271285
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name[1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol
SMILESCN(CC1(CO)CCCCC1)C1CCSC1
InChIInChI=1S/C13H25NOS/c1-14(12-5-8-16-9-12)10-13(11-15)6-3-2-4-7-13/h12,15H,2-11H2,1H3
InChIKeyBKXCTTSKFQUFPK-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol (CID 62271285) is [1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol is CN(CC1(CO)CCCCC1)C1CCSC1.
What is the InChIKey of [1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is BKXCTTSKFQUFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-14(12-5-8-16-9-12)10-13(11-15)6-3-2-4-7-13/h12,15H,2-11H2,1H3.
What are the key properties of [1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol?
[1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 243.42 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[methyl(thiolan-3-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 62271285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).