4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide

C15H22N2O3S — CID 102704690

IUPAC4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C)S(=O)(=O)c1ccc(CNC2CC2)cc1OC
InChIInChI=1S/C15H22N2O3S/c1-4-9-17(2)21(18,19)15-8-5-12(10-14(15)20-3)11-16-13-6-7-13/h4-5,8,10,13,16H,1,6-7,9,11H2,2-3H3
InChIKeyGNXIEUMWVRBSBN-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.75
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide

4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 102704690) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID102704690
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C)S(=O)(=O)c1ccc(CNC2CC2)cc1OC
InChIInChI=1S/C15H22N2O3S/c1-4-9-17(2)21(18,19)15-8-5-12(10-14(15)20-3)11-16-13-6-7-13/h4-5,8,10,13,16H,1,6-7,9,11H2,2-3H3
InChIKeyGNXIEUMWVRBSBN-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102704471
N-ethyl-2-methoxy-4-(methylaminomethyl)-N-prop-2-enylbenzenesulfonamide
CID 102704691
2-[5-[(cyclopropylamino)methyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 60882265
2-methoxy-N-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 102704420
N-[2-(dimethylamino)ethyl]-2-methoxy-N-methyl-4-(methylaminomethyl)benzenesulfonamide
CID 102704614
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]cycloheptanamine
CID 4721038
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]cyclopropanamine
CID 115597475
N-[[3-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methyl]cyclopropanamine
CID 114524710
4-(chloromethyl)-N-(cyclopentylmethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102704246
4-(ethylaminomethyl)-2-methoxy-N-methyl-N-prop-2-ynylbenzenesulfonamide
CID 102704679
N-[[4-methoxy-3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63982071
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide (CID 102704690) is 4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(C)S(=O)(=O)c1ccc(CNC2CC2)cc1OC.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is GNXIEUMWVRBSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-9-17(2)21(18,19)15-8-5-12(10-14(15)20-3)11-16-13-6-7-13/h4-5,8,10,13,16H,1,6-7,9,11H2,2-3H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide?
4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-2-methoxy-N-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 102704690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).