4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol

C12H23NOS — CID 65115212

IUPAC4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CCSC2)CC1
InChIInChI=1S/C12H23NOS/c1-10-2-5-12(14,6-3-10)9-13-11-4-7-15-8-11/h10-11,13-14H,2-9H2,1H3
InChIKeyXWSBYYLSOGMBBI-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.02
Rot. Bonds3

About 4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol

4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol (PubChem CID 65115212) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol
PubChem CID65115212
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC2CCSC2)CC1
InChIInChI=1S/C12H23NOS/c1-10-2-5-12(14,6-3-10)9-13-11-4-7-15-8-11/h10-11,13-14H,2-9H2,1H3
InChIKeyXWSBYYLSOGMBBI-UHFFFAOYSA-N
XLogP2.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol (CID 65115212) is 4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNC2CCSC2)CC1.
What is the InChIKey of 4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is XWSBYYLSOGMBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10-2-5-12(14,6-3-10)9-13-11-4-7-15-8-11/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 229.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(thiolan-3-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 65115212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).