N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide

C15H24N2O3S — CID 65188769

IUPACN-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(2)10-20-13-5-7-14(8-6-13)21(18,19)17-15(9-16)12-3-4-12/h5-8,11-12,15,17H,3-4,9-10,16H2,1-2H3
InChIKeyPQHFOUZDUWKORU-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.74
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide

N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide (PubChem CID 65188769) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide
PubChem CID65188769
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NC(CN)C2CC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(2)10-20-13-5-7-14(8-6-13)21(18,19)17-15(9-16)12-3-4-12/h5-8,11-12,15,17H,3-4,9-10,16H2,1-2H3
InChIKeyPQHFOUZDUWKORU-UHFFFAOYSA-N
XLogP1.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-4-(2,2-difluoroethoxy)benzenesulfonamide
CID 120710791
N-(2-amino-1-cyclopropylethyl)-4-(2-ethoxyethoxy)benzenesulfonamide
CID 119986985
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
CID 65188828
N-(2-amino-1-cyclopropylethyl)-4-(3-methylphenoxy)benzenesulfonamide;hydrochloride
CID 119986545
N-(2-amino-1-cyclopropylethyl)naphthalene-2-sulfonamide
CID 65188771
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclopropylethyl)-6-cyanopyridine-3-sulfonamide
CID 115752512
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxybenzenesulfonamide;hydrochloride
CID 119987079
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
N-(2-amino-1-cyclopropylethyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119986612
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide (CID 65188769) is N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide is CC(C)COc1ccc(S(=O)(=O)NC(CN)C2CC2)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is PQHFOUZDUWKORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)10-20-13-5-7-14(8-6-13)21(18,19)17-15(9-16)12-3-4-12/h5-8,11-12,15,17H,3-4,9-10,16H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide?
N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 65188769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).