1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol

C12H25NO2S — CID 106246909

IUPAC1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
SMILESCSCC(C)(O)CNCC1(O)CCCCC1
InChIInChI=1S/C12H25NO2S/c1-11(14,10-16-2)8-13-9-12(15)6-4-3-5-7-12/h13-15H,3-10H2,1-2H3
InChIKeyGVBPWCDYARCFRF-UHFFFAOYSA-N
MW247.40 g/mol
LogP1.39
Rot. Bonds6

About 1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol

1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol (PubChem CID 106246909) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
PubChem CID106246909
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
SMILESCSCC(C)(O)CNCC1(O)CCCCC1
InChIInChI=1S/C12H25NO2S/c1-11(14,10-16-2)8-13-9-12(15)6-4-3-5-7-12/h13-15H,3-10H2,1-2H3
InChIKeyGVBPWCDYARCFRF-UHFFFAOYSA-N
XLogP1.39
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol
CID 115664275
1-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]cyclohexan-1-ol
CID 106254028
1-[[(4-hydroxy-2,2-dimethylbutyl)amino]methyl]cyclopentan-1-ol
CID 106146862
1-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]cyclopentan-1-ol
CID 65210742
2-methyl-1-methylsulfanyl-3-(spiro[4.5]decan-8-ylamino)propan-2-ol
CID 106245683
1-(2-fluoroethylamino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246870
1-[[(2,2-difluoro-3-hydroxypropyl)amino]methyl]cyclohexan-1-ol
CID 106175972
5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pentanenitrile
CID 106246917
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2,2-dimethylpropanoate
CID 79623676
1-[(tert-butylamino)methyl]cyclooctan-1-ol
CID 62774336
1-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 106244318
N'-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]-2,2-dimethylbutanimidamide
CID 77062740

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol (CID 106246909) is 1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol is CSCC(C)(O)CNCC1(O)CCCCC1.
What is the InChIKey of 1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is GVBPWCDYARCFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-11(14,10-16-2)8-13-9-12(15)6-4-3-5-7-12/h13-15H,3-10H2,1-2H3.
What are the key properties of 1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol?
1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 247.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106246909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).