4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide

C15H27N3O2S — CID 106141961

IUPAC4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCC(C)(C)CCN)cc1
InChIInChI=1S/C15H27N3O2S/c1-4-11-18-21(19,20)14-7-5-13(6-8-14)17-12-15(2,3)9-10-16/h5-8,17-18H,4,9-12,16H2,1-3H3
InChIKeyTYVFSQWXJDKTBA-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.16
Rot. Bonds9

About 4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide

4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide (PubChem CID 106141961) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide
PubChem CID106141961
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(NCC(C)(C)CCN)cc1
InChIInChI=1S/C15H27N3O2S/c1-4-11-18-21(19,20)14-7-5-13(6-8-14)17-12-15(2,3)9-10-16/h5-8,17-18H,4,9-12,16H2,1-3H3
InChIKeyTYVFSQWXJDKTBA-UHFFFAOYSA-N
XLogP2.16
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-aminohexylamino)-N-propylbenzenesulfonamide
CID 107844635
N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide
CID 106144652
N-(2,2-dimethylpropyl)-4-(propylamino)benzenesulfonamide
CID 62147451
4-[2-(ethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 62665534
4-[2-(dimethylamino)ethylamino]-N-propylbenzenesulfonamide
CID 43454080
4-(propylamino)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 62146808
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-(4-hydroxybutylamino)-N-propylbenzenesulfonamide
CID 106842590
4-(methanesulfonamido)-N-propylbenzenesulfonamide
CID 6458395
2,2-dimethyl-N-(propylsulfamoyl)butane-1,4-diamine
CID 106141642
3-[[4-(propylamino)phenyl]sulfonylamino]propanamide
CID 62146441
4-(1-aminopentan-2-ylamino)-N-propylbenzenesulfonamide
CID 65193254

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide (CID 106141961) is 4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(NCC(C)(C)CCN)cc1.
What is the InChIKey of 4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide?
The InChIKey is TYVFSQWXJDKTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-4-11-18-21(19,20)14-7-5-13(6-8-14)17-12-15(2,3)9-10-16/h5-8,17-18H,4,9-12,16H2,1-3H3.
What are the key properties of 4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide?
4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,2-dimethylbutyl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 106141961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).