3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide

C14H24N2O2S — CID 60872474

IUPAC3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)N(C)C(C)CC)c1
InChIInChI=1S/C14H24N2O2S/c1-5-11(3)16(4)19(17,18)13-9-7-8-12(10-13)14(15)6-2/h7-11,14H,5-6,15H2,1-4H3
InChIKeyUSCYMXHDYGZXEK-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.52
Rot. Bonds6

About 3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide

3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide (PubChem CID 60872474) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide
PubChem CID60872474
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide
SMILESCCC(N)c1cccc(S(=O)(=O)N(C)C(C)CC)c1
InChIInChI=1S/C14H24N2O2S/c1-5-11(3)16(4)19(17,18)13-9-7-8-12(10-13)14(15)6-2/h7-11,14H,5-6,15H2,1-4H3
InChIKeyUSCYMXHDYGZXEK-UHFFFAOYSA-N
XLogP2.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-aminopropyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 115986124
3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61429113
1-(3-methylsulfonylphenyl)propan-1-amine
CID 66935160
3-(1-aminopropyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 79378974
3-(1-aminopropyl)-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82739201
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
3-(1-hydroxyethyl)-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61455972
1-(3-pyrrolidin-1-ylsulfonylphenyl)propan-1-amine
CID 60871674
1-[3-(azepan-1-ylsulfonyl)phenyl]propan-1-amine
CID 60873787
2-[[3-(1-aminopropyl)phenyl]sulfonylamino]-N-propan-2-ylacetamide
CID 60872861
N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide
CID 60873070

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide?
The IUPAC name of 3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide (CID 60872474) is 3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide?
The canonical SMILES for 3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide is CCC(N)c1cccc(S(=O)(=O)N(C)C(C)CC)c1.
What is the InChIKey of 3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide?
The InChIKey is USCYMXHDYGZXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-11(3)16(4)19(17,18)13-9-7-8-12(10-13)14(15)6-2/h7-11,14H,5-6,15H2,1-4H3.
What are the key properties of 3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide?
3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-N-butan-2-yl-N-methylbenzenesulfonamide is sourced from PubChem (CID 60872474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).