4-butylsulfonyl-N-ethylpentan-2-amine

C11H25NO2S — CID 64704591

IUPAC4-butylsulfonyl-N-ethylpentan-2-amine
SMILESCCCCS(=O)(=O)C(C)CC(C)NCC
InChIInChI=1S/C11H25NO2S/c1-5-7-8-15(13,14)11(4)9-10(3)12-6-2/h10-12H,5-9H2,1-4H3
InChIKeyKGFXMAKEBWTVCV-UHFFFAOYSA-N
MW235.39 g/mol
LogP1.98
Rot. Bonds8

About 4-butylsulfonyl-N-ethylpentan-2-amine

4-butylsulfonyl-N-ethylpentan-2-amine (PubChem CID 64704591) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is 4-butylsulfonyl-N-ethylpentan-2-amine.

Molecular Properties

Compound Name4-butylsulfonyl-N-ethylpentan-2-amine
PubChem CID64704591
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC Name4-butylsulfonyl-N-ethylpentan-2-amine
SMILESCCCCS(=O)(=O)C(C)CC(C)NCC
InChIInChI=1S/C11H25NO2S/c1-5-7-8-15(13,14)11(4)9-10(3)12-6-2/h10-12H,5-9H2,1-4H3
InChIKeyKGFXMAKEBWTVCV-UHFFFAOYSA-N
XLogP1.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butylsulfonyl-N-ethylpentan-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

N-methyl-4-propylsulfonylpentan-2-amine
CID 64703585
2-[4-(ethylamino)pentan-2-ylsulfonyl]-N,N-dimethylacetamide
CID 114232817
1-butan-2-ylsulfonylpentane
CID 159645630
4-[(4-chlorophenyl)methylsulfonyl]-N-ethylpentan-2-amine
CID 114792092
N-ethyl-2-pentylsulfonylpentan-3-amine
CID 107758688
1-butylsulfonylethanol
CID 57246479
1-[(1R)-1-chloroethyl]sulfonylbutane
CID 94036808
4-(3-methoxypropylsulfonyl)-N-methylpentan-2-amine
CID 64704596
2-butylsulfonyl-N-ethyl-1-phenylpropan-1-amine
CID 64676326
N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine
CID 64703972
N-ethyl-4-pentylsulfinylpentan-2-amine
CID 107758976
2-(ethylamino)tetradecan-4-ol
CID 174619810

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfonyl-N-ethylpentan-2-amine?
The IUPAC name of 4-butylsulfonyl-N-ethylpentan-2-amine (CID 64704591) is 4-butylsulfonyl-N-ethylpentan-2-amine.
What is the SMILES notation for 4-butylsulfonyl-N-ethylpentan-2-amine?
The canonical SMILES for 4-butylsulfonyl-N-ethylpentan-2-amine is CCCCS(=O)(=O)C(C)CC(C)NCC.
What is the InChIKey of 4-butylsulfonyl-N-ethylpentan-2-amine?
The InChIKey is KGFXMAKEBWTVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-5-7-8-15(13,14)11(4)9-10(3)12-6-2/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-butylsulfonyl-N-ethylpentan-2-amine?
4-butylsulfonyl-N-ethylpentan-2-amine has a molecular weight of 235.39 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfonyl-N-ethylpentan-2-amine is sourced from PubChem (CID 64704591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).