4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol

C14H27NOS — CID 64805718

IUPAC4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)SC1CCCC1
InChIInChI=1S/C14H27NOS/c1-11(17-13-5-3-4-6-13)9-14(2,10-16)15-12-7-8-12/h11-13,15-16H,3-10H2,1-2H3
InChIKeyLDLGSIOPTNXZOG-UHFFFAOYSA-N
MW257.44 g/mol
LogP2.94
Rot. Bonds7

About 4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol

4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol (PubChem CID 64805718) has the molecular formula C14H27NOS and a molecular weight of 257.44 g/mol. Its IUPAC name is 4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol
PubChem CID64805718
Molecular FormulaC14H27NOS
Molecular Weight257.44 g/mol
Exact Mass257.18
IUPAC Name4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)SC1CCCC1
InChIInChI=1S/C14H27NOS/c1-11(17-13-5-3-4-6-13)9-14(2,10-16)15-12-7-8-12/h11-13,15-16H,3-10H2,1-2H3
InChIKeyLDLGSIOPTNXZOG-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol?
The IUPAC name of 4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol (CID 64805718) is 4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol?
The canonical SMILES for 4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol is CC(CC(C)(CO)NC1CC1)SC1CCCC1.
What is the InChIKey of 4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol?
The InChIKey is LDLGSIOPTNXZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS/c1-11(17-13-5-3-4-6-13)9-14(2,10-16)15-12-7-8-12/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol?
4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol has a molecular weight of 257.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64805718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).