N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide

C15H24N2O2S — CID 60823570

IUPACN-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NC(C)C2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-11(2)16-10-13-4-8-15(9-5-13)20(18,19)17-12(3)14-6-7-14/h4-5,8-9,11-12,14,16-17H,6-7,10H2,1-3H3
InChIKeyNRZDFWAZZXVQQA-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.26
Rot. Bonds7

About N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide

N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 60823570) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID60823570
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NC(C)C2CC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-11(2)16-10-13-4-8-15(9-5-13)20(18,19)17-12(3)14-6-7-14/h4-5,8-9,11-12,14,16-17H,6-7,10H2,1-3H3
InChIKeyNRZDFWAZZXVQQA-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)benzenesulfonamide
CID 60823571
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866
N-(1-cyclopentylethyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106066113
4-(3-aminopropyl)-N-(1-cyclobutylethyl)benzenesulfonamide
CID 106084795
N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8817025
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106065988
4-(1-cyclopropylethylsulfamoyl)benzenecarbothioamide
CID 43533575
N-(2-methylsulfonylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60926017

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 60823570) is N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide is CC(C)NCc1ccc(S(=O)(=O)NC(C)C2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is NRZDFWAZZXVQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11(2)16-10-13-4-8-15(9-5-13)20(18,19)17-12(3)14-6-7-14/h4-5,8-9,11-12,14,16-17H,6-7,10H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 60823570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).