2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol

C12H25NOS — CID 64806649

IUPAC2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol
SMILESCC(N)(CO)CCCSC1CCCCC1
InChIInChI=1S/C12H25NOS/c1-12(13,10-14)8-5-9-15-11-6-3-2-4-7-11/h11,14H,2-10,13H2,1H3
InChIKeyAHWDYNSPBWUQCC-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.54
Rot. Bonds6

About 2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol

2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol (PubChem CID 64806649) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is 2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol
PubChem CID64806649
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol
SMILESCC(N)(CO)CCCSC1CCCCC1
InChIInChI=1S/C12H25NOS/c1-12(13,10-14)8-5-9-15-11-6-3-2-4-7-11/h11,14H,2-10,13H2,1H3
InChIKeyAHWDYNSPBWUQCC-UHFFFAOYSA-N
XLogP2.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol?
The IUPAC name of 2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol (CID 64806649) is 2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol is CC(N)(CO)CCCSC1CCCCC1.
What is the InChIKey of 2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol?
The InChIKey is AHWDYNSPBWUQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-12(13,10-14)8-5-9-15-11-6-3-2-4-7-11/h11,14H,2-10,13H2,1H3.
What are the key properties of 2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol?
2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol has a molecular weight of 231.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyclohexylsulfanyl-2-methylpentan-1-ol is sourced from PubChem (CID 64806649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).