4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol

C9H19NO2S — CID 130914134

IUPAC4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol
SMILESCS(=O)CCC1(N)CCC(O)CC1
InChIInChI=1S/C9H19NO2S/c1-13(12)7-6-9(10)4-2-8(11)3-5-9/h8,11H,2-7,10H2,1H3
InChIKeyVDINEKZQYZFYEJ-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.39
Rot. Bonds3

About 4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol

4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol (PubChem CID 130914134) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol
PubChem CID130914134
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol
SMILESCS(=O)CCC1(N)CCC(O)CC1
InChIInChI=1S/C9H19NO2S/c1-13(12)7-6-9(10)4-2-8(11)3-5-9/h8,11H,2-7,10H2,1H3
InChIKeyVDINEKZQYZFYEJ-UHFFFAOYSA-N
XLogP0.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-propan-2-ylcyclohexan-1-ol
CID 99985687
4-amino-4-(2,2-difluoroethyl)cyclohexan-1-ol
CID 164655200
4-methylsulfinylcyclohexan-1-ol
CID 154186505
3-chloro-1-methyl-1-(2-methylsulfinylethyl)cyclopentane
CID 130856145
4-amino-4-(cyclopent-3-en-1-ylmethyl)cyclohexan-1-ol
CID 164652613
4-amino-4-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 130531663
4-amino-4-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 126979079
4-ethyl-4-propylcyclohexan-1-ol
CID 91476830
4,4-dibutylcyclohexan-1-ol
CID 154113333
1-(2-fluoroethyl)-4-methylcyclohexan-1-amine
CID 130515363
4,4-bis(2-hydroxyethyl)cyclohexan-1-ol
CID 141270843
4-methyl-1-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 62619918

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol (CID 130914134) is 4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol is CS(=O)CCC1(N)CCC(O)CC1.
What is the InChIKey of 4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol?
The InChIKey is VDINEKZQYZFYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-13(12)7-6-9(10)4-2-8(11)3-5-9/h8,11H,2-7,10H2,1H3.
What are the key properties of 4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol?
4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol has a molecular weight of 205.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-methylsulfinylethyl)cyclohexan-1-ol is sourced from PubChem (CID 130914134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).