5-pentylsulfinylpentan-2-amine

C10H23NOS — CID 107758796

IUPAC5-pentylsulfinylpentan-2-amine
SMILESCCCCCS(=O)CCCC(C)N
InChIInChI=1S/C10H23NOS/c1-3-4-5-8-13(12)9-6-7-10(2)11/h10H,3-9,11H2,1-2H3
InChIKeyDFHCBTSGHFLLET-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.05
Rot. Bonds8

About 5-pentylsulfinylpentan-2-amine

5-pentylsulfinylpentan-2-amine (PubChem CID 107758796) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 5-pentylsulfinylpentan-2-amine.

Molecular Properties

Compound Name5-pentylsulfinylpentan-2-amine
PubChem CID107758796
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name5-pentylsulfinylpentan-2-amine
SMILESCCCCCS(=O)CCCC(C)N
InChIInChI=1S/C10H23NOS/c1-3-4-5-8-13(12)9-6-7-10(2)11/h10H,3-9,11H2,1-2H3
InChIKeyDFHCBTSGHFLLET-UHFFFAOYSA-N
XLogP2.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-pentylsulfinylpentan-2-amine 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

1-heptadecylsulfinylheptadecane
CID 54059826
(2S)-tetradecan-2-amine
CID 25021238
(2S)-tridecan-2-amine
CID 24884182
(2S)-nonadecan-2-amine
CID 94864909
tetradecan-2-amine;hydrobromide
CID 175070931
dodecan-2-amine;hydrochloride
CID 86195878
nonadecane-2,14-diamine
CID 89095951
1-(2-fluoroethylsulfinyl)pentane
CID 56992126
3-pentylsulfinylpropan-1-ol
CID 12518269
carbamic acid;undecan-2-amine
CID 175209089
1-ethylsulfinylhexane
CID 18965294
1-ethylsulfinyloctane
CID 54141160

Frequently Asked Questions

What is the IUPAC name of 5-pentylsulfinylpentan-2-amine?
The IUPAC name of 5-pentylsulfinylpentan-2-amine (CID 107758796) is 5-pentylsulfinylpentan-2-amine.
What is the SMILES notation for 5-pentylsulfinylpentan-2-amine?
The canonical SMILES for 5-pentylsulfinylpentan-2-amine is CCCCCS(=O)CCCC(C)N.
What is the InChIKey of 5-pentylsulfinylpentan-2-amine?
The InChIKey is DFHCBTSGHFLLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-3-4-5-8-13(12)9-6-7-10(2)11/h10H,3-9,11H2,1-2H3.
What are the key properties of 5-pentylsulfinylpentan-2-amine?
5-pentylsulfinylpentan-2-amine has a molecular weight of 205.37 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentylsulfinylpentan-2-amine is sourced from PubChem (CID 107758796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).