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

C12H23NOS — CID 115654559

IUPAC3-[(thian-4-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC2CCSCC2)C1
InChIInChI=1S/C12H23NOS/c14-12-3-1-2-10(8-12)9-13-11-4-6-15-7-5-11/h10-14H,1-9H2
InChIKeySVRSBWYGTOPGQP-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.02
Rot. Bonds3

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

3-[(thian-4-ylamino)methyl]cyclohexan-1-ol (PubChem CID 115654559) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is 3-[(thian-4-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(thian-4-ylamino)methyl]cyclohexan-1-ol
PubChem CID115654559
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name3-[(thian-4-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC2CCSCC2)C1
InChIInChI=1S/C12H23NOS/c14-12-3-1-2-10(8-12)9-13-11-4-6-15-7-5-11/h10-14H,1-9H2
InChIKeySVRSBWYGTOPGQP-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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Related Compounds

N-[(3-methylcyclohexyl)methyl]thian-4-amine
CID 115592505
3-[[(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 115654560
N-(cycloheptylmethyl)thian-4-amine
CID 115685592
3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 104844751
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372
3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol
CID 114146190
N-[(3-aminocyclopentyl)methyl]thian-4-amine
CID 105468128
3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol
CID 106132527
3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 103785802
3-[[(1-propan-2-ylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 106124034
3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 113263610
4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol
CID 106594762

Frequently Asked Questions

What is the IUPAC name of 3-[(thian-4-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(thian-4-ylamino)methyl]cyclohexan-1-ol (CID 115654559) is 3-[(thian-4-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(thian-4-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(thian-4-ylamino)methyl]cyclohexan-1-ol is OC1CCCC(CNC2CCSCC2)C1.
What is the InChIKey of 3-[(thian-4-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is SVRSBWYGTOPGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOS/c14-12-3-1-2-10(8-12)9-13-11-4-6-15-7-5-11/h10-14H,1-9H2.
What are the key properties of 3-[(thian-4-ylamino)methyl]cyclohexan-1-ol?
3-[(thian-4-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 3-[(thian-4-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115654559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).