N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide

C14H22N2O3S2 — CID 106246055

IUPACN-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide
SMILESCSCC(C)(O)CNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H22N2O3S2/c1-14(17,10-20-2)9-15-12-5-3-4-6-13(12)21(18,19)16-11-7-8-11/h3-6,11,15-17H,7-10H2,1-2H3
InChIKeyRFDBWFZUUPRRJL-UHFFFAOYSA-N
MW330.48 g/mol
LogP1.65
Rot. Bonds8

About N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide

N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide (PubChem CID 106246055) has the molecular formula C14H22N2O3S2 and a molecular weight of 330.48 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide
PubChem CID106246055
Molecular FormulaC14H22N2O3S2
Molecular Weight330.48 g/mol
Exact Mass330.11
IUPAC NameN-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide
SMILESCSCC(C)(O)CNc1ccccc1S(=O)(=O)NC1CC1
InChIInChI=1S/C14H22N2O3S2/c1-14(17,10-20-2)9-15-12-5-3-4-6-13(12)21(18,19)16-11-7-8-11/h3-6,11,15-17H,7-10H2,1-2H3
InChIKeyRFDBWFZUUPRRJL-UHFFFAOYSA-N
XLogP1.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-(2,2-dimethylbutylamino)benzenesulfonamide
CID 103462650
N-cyclopropyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500228
N-cyclopropyl-2-(2,3,3-trimethylbutylamino)benzenesulfonamide
CID 83142432
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
N-cyclopropyl-2-[2-(cyclopropylamino)ethylamino]benzenesulfonamide
CID 62663053
N-cyclopropyl-2-(pentylamino)benzenesulfonamide
CID 43454657
1-(2-aminoanilino)-2-methyl-3-methylsulfanylpropan-2-ol
CID 106243794
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylbenzenesulfonamide
CID 103835619
2-(methylamino)-N-(4-propylcyclohexyl)benzenesulfonamide
CID 62156688
N-cyclopropyl-2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 115520486
N-cyclopropyl-2-[(4-methylcyclohexyl)amino]benzenesulfonamide
CID 43454668

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide (CID 106246055) is N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide is CSCC(C)(O)CNc1ccccc1S(=O)(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide?
The InChIKey is RFDBWFZUUPRRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S2/c1-14(17,10-20-2)9-15-12-5-3-4-6-13(12)21(18,19)16-11-7-8-11/h3-6,11,15-17H,7-10H2,1-2H3.
What are the key properties of N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide?
N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide has a molecular weight of 330.48 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]benzenesulfonamide is sourced from PubChem (CID 106246055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).