4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide

C14H25N3O2S — CID 65193254

IUPAC4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NC(CN)CCC)cc1
InChIInChI=1S/C14H25N3O2S/c1-3-5-13(11-15)17-12-6-8-14(9-7-12)20(18,19)16-10-4-2/h6-9,13,16-17H,3-5,10-11,15H2,1-2H3
InChIKeyVUIADGUPMHLVMS-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.91
Rot. Bonds9

About 4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide

4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide (PubChem CID 65193254) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide
PubChem CID65193254
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NC(CN)CCC)cc1
InChIInChI=1S/C14H25N3O2S/c1-3-5-13(11-15)17-12-6-8-14(9-7-12)20(18,19)16-10-4-2/h6-9,13,16-17H,3-5,10-11,15H2,1-2H3
InChIKeyVUIADGUPMHLVMS-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
CID 43383375
4-(6-aminohexylamino)-N-propylbenzenesulfonamide
CID 107844635
4-[(1-methoxy-3-methylbutan-2-yl)amino]-N-propylbenzenesulfonamide
CID 65048491
4-(difluoromethylsulfonyl)-N-heptan-4-ylaniline
CID 43683888
4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide
CID 106141961
4-[(1-amino-4-methylpentan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 63761398
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
4-[(4-amino-1-methoxybutan-2-yl)amino]-N-ethylbenzenesulfonamide
CID 106154742
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide?
The IUPAC name of 4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide (CID 65193254) is 4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(NC(CN)CCC)cc1.
What is the InChIKey of 4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide?
The InChIKey is VUIADGUPMHLVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-3-5-13(11-15)17-12-6-8-14(9-7-12)20(18,19)16-10-4-2/h6-9,13,16-17H,3-5,10-11,15H2,1-2H3.
What are the key properties of 4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide?
4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide is sourced from PubChem (CID 65193254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).