6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol

C15H31NOS — CID 64806764

IUPAC6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCSC1CCCC1
InChIInChI=1S/C15H31NOS/c1-13(2)16-15(3,12-17)10-6-7-11-18-14-8-4-5-9-14/h13-14,16-17H,4-12H2,1-3H3
InChIKeyFRHJDQGDQZFESU-UHFFFAOYSA-N
MW273.49 g/mol
LogP3.58
Rot. Bonds9

About 6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol

6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol (PubChem CID 64806764) has the molecular formula C15H31NOS and a molecular weight of 273.49 g/mol. Its IUPAC name is 6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol.

Molecular Properties

Compound Name6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
PubChem CID64806764
Molecular FormulaC15H31NOS
Molecular Weight273.49 g/mol
Exact Mass273.21
IUPAC Name6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
SMILESCC(C)NC(C)(CO)CCCCSC1CCCC1
InChIInChI=1S/C15H31NOS/c1-13(2)16-15(3,12-17)10-6-7-11-18-14-8-4-5-9-14/h13-14,16-17H,4-12H2,1-3H3
InChIKeyFRHJDQGDQZFESU-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.49
LogP ≤ 53.58
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 6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The IUPAC name of 6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol (CID 64806764) is 6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol.
What is the SMILES notation for 6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The canonical SMILES for 6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol is CC(C)NC(C)(CO)CCCCSC1CCCC1.
What is the InChIKey of 6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
The InChIKey is FRHJDQGDQZFESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NOS/c1-13(2)16-15(3,12-17)10-6-7-11-18-14-8-4-5-9-14/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol?
6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol has a molecular weight of 273.49 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol is sourced from PubChem (CID 64806764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).