3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol

C12H25NOS — CID 114370322

IUPAC3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)SC1CCCCC1
InChIInChI=1S/C12H25NOS/c1-9(2)12(13)11(8-14)15-10-6-4-3-5-7-10/h9-12,14H,3-8,13H2,1-2H3
InChIKeyCGSSTVXZRUXTAT-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.40
Rot. Bonds5

About 3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol

3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol (PubChem CID 114370322) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol
PubChem CID114370322
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol
SMILESCC(C)C(N)C(CO)SC1CCCCC1
InChIInChI=1S/C12H25NOS/c1-9(2)12(13)11(8-14)15-10-6-4-3-5-7-10/h9-12,14H,3-8,13H2,1-2H3
InChIKeyCGSSTVXZRUXTAT-UHFFFAOYSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-cyclohexylsulfanylpentan-1-ol
CID 104842258
1-cyclohexylsulfanylethanamine
CID 22450260
2-cyclohexylsulfanylbutan-1-ol
CID 117035393
3-cyclohexylsulfanylbutan-1-ol
CID 66139047
2-cyclopentylsulfanylbutan-1-ol
CID 117035394
3-amino-3-cyclopropyl-2-(3-methylcyclohexyl)sulfanylpropan-1-ol
CID 114370454
2-amino-1-cycloheptyl-3-methylbutan-1-ol
CID 115347541
1-cyclohexylsulfanylbutan-1-amine
CID 91464372
3-cyclohexylsulfanylbutan-1-amine
CID 60913150
3-amino-2-butan-2-ylsulfanyl-4-methylpentan-1-ol
CID 114369959
1-bromoethylsulfanylcyclohexane
CID 70102575
3-amino-2-(4-hydroxybutan-2-ylsulfanyl)-4-methylpentan-1-ol
CID 114370636

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol?
The IUPAC name of 3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol (CID 114370322) is 3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol.
What is the SMILES notation for 3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol?
The canonical SMILES for 3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol is CC(C)C(N)C(CO)SC1CCCCC1.
What is the InChIKey of 3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol?
The InChIKey is CGSSTVXZRUXTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-9(2)12(13)11(8-14)15-10-6-4-3-5-7-10/h9-12,14H,3-8,13H2,1-2H3.
What are the key properties of 3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol?
3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-cyclohexylsulfanyl-4-methylpentan-1-ol is sourced from PubChem (CID 114370322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).