4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide

C15H24N2O3S — CID 102704471

IUPAC4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(CNC2CC2)ccc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C15H24N2O3S/c1-11(2)9-17-21(18,19)15-7-4-12(8-14(15)20-3)10-16-13-5-6-13/h4,7-8,11,13,16-17H,5-6,9-10H2,1-3H3
InChIKeyAJAPFTVFCOPEBI-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.88
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide

4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 102704471) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
PubChem CID102704471
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1cc(CNC2CC2)ccc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C15H24N2O3S/c1-11(2)9-17-21(18,19)15-7-4-12(8-14(15)20-3)10-16-13-5-6-13/h4,7-8,11,13,16-17H,5-6,9-10H2,1-3H3
InChIKeyAJAPFTVFCOPEBI-UHFFFAOYSA-N
XLogP1.88
TPSA67.43 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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
2-chloro-5-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)benzenesulfonamide
CID 102701595
N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102704121
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102703982
4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide
CID 102704690
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
4-chloro-N-[2-(cyclopropylamino)ethyl]-2-methoxybenzenesulfonamide
CID 62665519
5-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 115409035
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide (CID 102704471) is 4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide is COc1cc(CNC2CC2)ccc1S(=O)(=O)NCC(C)C.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is AJAPFTVFCOPEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)9-17-21(18,19)15-7-4-12(8-14(15)20-3)10-16-13-5-6-13/h4,7-8,11,13,16-17H,5-6,9-10H2,1-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide?
4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 102704471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).