2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol

C13H27NOS — CID 103783162

IUPAC2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol
SMILESCSC1CCCCC1NCC(C)(O)C(C)C
InChIInChI=1S/C13H27NOS/c1-10(2)13(3,15)9-14-11-7-5-6-8-12(11)16-4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyWSPXXVTZDKAUCN-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.66
Rot. Bonds5

About 2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol

2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol (PubChem CID 103783162) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol
PubChem CID103783162
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC Name2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol
SMILESCSC1CCCCC1NCC(C)(O)C(C)C
InChIInChI=1S/C13H27NOS/c1-10(2)13(3,15)9-14-11-7-5-6-8-12(11)16-4/h10-12,14-15H,5-9H2,1-4H3
InChIKeyWSPXXVTZDKAUCN-UHFFFAOYSA-N
XLogP2.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylpropyl)-2-methylsulfanylcyclohexan-1-amine
CID 103779067
2-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]butan-1-ol
CID 115895188
1-(cycloheptylamino)-2,3-dimethylbutan-2-ol
CID 111118556
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-methylsulfanylcyclohexan-1-amine
CID 103931438
N-(cyclopentylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 115712400
1-(2-hydroxy-2-methylpropyl)-3-[(1S,2R)-2-methylsulfanylcyclopentyl]urea
CID 96565833
N-(cyclohexylmethyl)-2-methylsulfanylcyclohexan-1-amine
CID 103775456
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
3,3,3-trifluoro-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]propanoic acid
CID 114123668
2-methylsulfanyl-N-prop-2-enylcyclohexan-1-amine
CID 102613972
1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-2,3-dimethylbutan-2-ol
CID 114492954

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol (CID 103783162) is 2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol is CSC1CCCCC1NCC(C)(O)C(C)C.
What is the InChIKey of 2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol?
The InChIKey is WSPXXVTZDKAUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-10(2)13(3,15)9-14-11-7-5-6-8-12(11)16-4/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol?
2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol has a molecular weight of 245.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(2-methylsulfanylcyclohexyl)amino]butan-2-ol is sourced from PubChem (CID 103783162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).