N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide

C19H28N2O2S — CID 101206913

IUPACN-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide
SMILESC=CCN(CC=C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H28N2O2S/c1-4-14-21(15-5-2)19-9-7-6-8-18(19)20-24(22,23)17-12-10-16(3)11-13-17/h4-5,10-13,18-20H,1-2,6-9,14-15H2,3H3/t18-,19-/m0/s1
InChIKeyRGAJZNHWKMXNMR-OALUTQOASA-N
MW348.51 g/mol
LogP3.26
Rot. Bonds8

About N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide

N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide (PubChem CID 101206913) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide
PubChem CID101206913
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide
SMILESC=CCN(CC=C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H28N2O2S/c1-4-14-21(15-5-2)19-9-7-6-8-18(19)20-24(22,23)17-12-10-16(3)11-13-17/h4-5,10-13,18-20H,1-2,6-9,14-15H2,3H3/t18-,19-/m0/s1
InChIKeyRGAJZNHWKMXNMR-OALUTQOASA-N
XLogP3.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(1R,2R)-2-prop-2-enoxycyclohexyl]benzenesulfonamide
CID 12032379
4-methyl-N-(2-prop-2-enoxycyclohexyl)benzenesulfonamide
CID 51355790
4-methyl-N-[(1R,2R)-2-(4-methylphenyl)sulfonylcyclohexyl]benzenesulfonamide
CID 25015867
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
4-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 11097522
N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide
CID 23604948
4-methyl-N-[(1R,2R)-2-(N-methylanilino)cyclopentyl]benzenesulfonamide
CID 11405210
N-(2-fluorocyclohexyl)-4-methylbenzenesulfonamide
CID 85434978
4-methyl-N-[(1R,2R)-2-sulfanylcyclohexyl]benzenesulfonamide
CID 25140124
2-methyl-N-[(1R,2S)-2-[(2-methylphenyl)sulfonyl-prop-2-enylamino]cyclohexyl]benzenesulfonamide
CID 11576275
N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-4-methylbenzenesulfonamide
CID 110125809
N-[(1R,2R)-2-hydroxycyclopentyl]-4-methylbenzenesulfonamide
CID 11230584

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide (CID 101206913) is N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide is C=CCN(CC=C)[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide?
The InChIKey is RGAJZNHWKMXNMR-OALUTQOASA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-4-14-21(15-5-2)19-9-7-6-8-18(19)20-24(22,23)17-12-10-16(3)11-13-17/h4-5,10-13,18-20H,1-2,6-9,14-15H2,3H3/t18-,19-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide?
N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide has a molecular weight of 348.51 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[bis(prop-2-enyl)amino]cyclohexyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 101206913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).