4-(benzenesulfonyl)-N-propylpentan-2-amine

C14H23NO2S — CID 64704973

IUPAC4-(benzenesulfonyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-4-10-15-12(2)11-13(3)18(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3
InChIKeyUTMHNCCNRZJSRY-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.63
Rot. Bonds7

About 4-(benzenesulfonyl)-N-propylpentan-2-amine

4-(benzenesulfonyl)-N-propylpentan-2-amine (PubChem CID 64704973) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-propylpentan-2-amine
PubChem CID64704973
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name4-(benzenesulfonyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H23NO2S/c1-4-10-15-12(2)11-13(3)18(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3
InChIKeyUTMHNCCNRZJSRY-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-nitrophenyl)sulfonyl-N-propylpentan-2-amine
CID 64703983
N-ethyl-4-(4-methylphenyl)sulfonylpentan-2-amine
CID 64703972
4-(benzenesulfonyl)pentan-2-ol
CID 12920591
2,7-bis(benzenesulfonyl)octane-4,5-diol
CID 86168417
5-(benzenesulfonyl)-N-propylpentan-2-amine
CID 62916866
N-ethyl-4-naphthalen-2-ylsulfonylpentan-2-amine
CID 64705187
4-(4-phenylphenyl)-N-propylpentan-2-amine
CID 65453815
1-benzylsulfonyl-N-propylpropan-2-amine
CID 64645364
4-[(3-methylphenyl)methylsulfonyl]-N-propylpentan-2-amine
CID 64704189
4-(2-ethylphenoxy)-N-propylpentan-2-amine
CID 64720460
4-[2-(propylamino)propyl]benzenesulfonamide
CID 55219921
4-(2-propan-2-ylphenoxy)-N-propylpentan-2-amine
CID 64708098

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-propylpentan-2-amine?
The IUPAC name of 4-(benzenesulfonyl)-N-propylpentan-2-amine (CID 64704973) is 4-(benzenesulfonyl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(benzenesulfonyl)-N-propylpentan-2-amine?
The canonical SMILES for 4-(benzenesulfonyl)-N-propylpentan-2-amine is CCCNC(C)CC(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-N-propylpentan-2-amine?
The InChIKey is UTMHNCCNRZJSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-4-10-15-12(2)11-13(3)18(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3.
What are the key properties of 4-(benzenesulfonyl)-N-propylpentan-2-amine?
4-(benzenesulfonyl)-N-propylpentan-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-propylpentan-2-amine is sourced from PubChem (CID 64704973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).