5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol

C14H31NOS — CID 106811083

IUPAC5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCSC(C)CC
InChIInChI=1S/C14H31NOS/c1-5-10-15-14(7-3,12-16)9-8-11-17-13(4)6-2/h13,15-16H,5-12H2,1-4H3
InChIKeyDTGBGEXUQWZRAG-UHFFFAOYSA-N
MW261.47 g/mol
LogP3.44
Rot. Bonds11

About 5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol

5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol (PubChem CID 106811083) has the molecular formula C14H31NOS and a molecular weight of 261.47 g/mol. Its IUPAC name is 5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
PubChem CID106811083
Molecular FormulaC14H31NOS
Molecular Weight261.47 g/mol
Exact Mass261.21
IUPAC Name5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(CC)(CO)CCCSC(C)CC
InChIInChI=1S/C14H31NOS/c1-5-10-15-14(7-3,12-16)9-8-11-17-13(4)6-2/h13,15-16H,5-12H2,1-4H3
InChIKeyDTGBGEXUQWZRAG-UHFFFAOYSA-N
XLogP3.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)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

Related Compounds

2-ethyl-2-(methylamino)-5-propan-2-ylsulfanylpentan-1-ol
CID 106810989
5-(2-chlorophenyl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810893
2-amino-5-butan-2-ylsulfanyl-2-methylpentan-1-ol
CID 64821293
5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810779
2-ethyl-5-[(2-methylpropan-2-yl)oxy]-2-(propylamino)pentan-1-ol
CID 106810286
4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64821262
1-butan-2-ylsulfanylbutane
CID 525455
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810829
5-[cyclopropyl(2-methylpropyl)amino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809449
5-[(3-chloro-2-pyridinyl)sulfanyl]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106811134
2-ethyl-5-[3-methoxypropyl(methyl)amino]-2-(propylamino)pentan-1-ol
CID 106808842
5-[2-(dimethylamino)ethyl-propylamino]-2-ethyl-2-(propylamino)pentan-1-ol
CID 106808957

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol (CID 106811083) is 5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol is CCCNC(CC)(CO)CCCSC(C)CC.
What is the InChIKey of 5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol?
The InChIKey is DTGBGEXUQWZRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NOS/c1-5-10-15-14(7-3,12-16)9-8-11-17-13(4)6-2/h13,15-16H,5-12H2,1-4H3.
What are the key properties of 5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol?
5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol has a molecular weight of 261.47 g/mol, XLogP of 3.44, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 106811083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).