(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide

C12H18N2O2S — CID 113285744

IUPAC(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide
SMILESCN(CCCN)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-14(10-5-9-13)17(15,16)11-8-12-6-3-2-4-7-12/h2-4,6-8,11H,5,9-10,13H2,1H3/b11-8+
InChIKeyOIKHGUTYQKUNMV-DHZHZOJOSA-N
MW254.36 g/mol
LogP1.27
Rot. Bonds6

About (E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide

(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide (PubChem CID 113285744) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is (E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide
PubChem CID113285744
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide
SMILESCN(CCCN)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H18N2O2S/c1-14(10-5-9-13)17(15,16)11-8-12-6-3-2-4-7-12/h2-4,6-8,11H,5,9-10,13H2,1H3/b11-8+
InChIKeyOIKHGUTYQKUNMV-DHZHZOJOSA-N
XLogP1.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide
CID 113285734
(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 30328284
N-methoxy-N-methyl-2-phenylethenesulfonamide
CID 76873216
N-[(3-hydroxycyclobutyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 77109067
N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 4885028
(E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide
CID 115755506
N-methyl-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 9428614
N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine
CID 89198312
N-(2,6-dimethylphenyl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 40682649
2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
CID 19965196
N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427564
3-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 55028770

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide (CID 113285744) is (E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide is CN(CCCN)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide?
The InChIKey is OIKHGUTYQKUNMV-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-14(10-5-9-13)17(15,16)11-8-12-6-3-2-4-7-12/h2-4,6-8,11H,5,9-10,13H2,1H3/b11-8+.
What are the key properties of (E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide?
(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide has a molecular weight of 254.36 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide is sourced from PubChem (CID 113285744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).