2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol

C14H27NO2S — CID 64805515

IUPAC2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)SC1CCOCC1
InChIInChI=1S/C14H27NO2S/c1-11(18-13-5-7-17-8-6-13)9-14(2,10-16)15-12-3-4-12/h11-13,15-16H,3-10H2,1-2H3
InChIKeyKRDQWKIPZZWDRV-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.18
Rot. Bonds7

About 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol

2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol (PubChem CID 64805515) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol
PubChem CID64805515
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol
SMILESCC(CC(C)(CO)NC1CC1)SC1CCOCC1
InChIInChI=1S/C14H27NO2S/c1-11(18-13-5-7-17-8-6-13)9-14(2,10-16)15-12-3-4-12/h11-13,15-16H,3-10H2,1-2H3
InChIKeyKRDQWKIPZZWDRV-UHFFFAOYSA-N
XLogP2.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol (CID 64805515) is 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol is CC(CC(C)(CO)NC1CC1)SC1CCOCC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol?
The InChIKey is KRDQWKIPZZWDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-11(18-13-5-7-17-8-6-13)9-14(2,10-16)15-12-3-4-12/h11-13,15-16H,3-10H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol?
2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol has a molecular weight of 273.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-(oxan-4-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 64805515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).