[1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol

C15H29NOS — CID 107764814

IUPAC[1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol
SMILESCCC(C)CSC1CCCC(CO)(NC2CC2)C1
InChIInChI=1S/C15H29NOS/c1-3-12(2)10-18-14-5-4-8-15(9-14,11-17)16-13-6-7-13/h12-14,16-17H,3-11H2,1-2H3
InChIKeyIWOLVSHPJKGFLQ-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.19
Rot. Bonds7

About [1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol

[1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol (PubChem CID 107764814) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol
PubChem CID107764814
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name[1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol
SMILESCCC(C)CSC1CCCC(CO)(NC2CC2)C1
InChIInChI=1S/C15H29NOS/c1-3-12(2)10-18-14-5-4-8-15(9-14,11-17)16-13-6-7-13/h12-14,16-17H,3-11H2,1-2H3
InChIKeyIWOLVSHPJKGFLQ-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol (CID 107764814) is [1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol is CCC(C)CSC1CCCC(CO)(NC2CC2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol?
The InChIKey is IWOLVSHPJKGFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-3-12(2)10-18-14-5-4-8-15(9-14,11-17)16-13-6-7-13/h12-14,16-17H,3-11H2,1-2H3.
What are the key properties of [1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol?
[1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol has a molecular weight of 271.47 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-(2-methylbutylsulfanyl)cyclohexyl]methanol is sourced from PubChem (CID 107764814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).