1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine

C12H18N2O2S — CID 65193383

IUPAC1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
SMILESCS(=O)(=O)c1ccc(NC(CN)C2CC2)cc1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)11-6-4-10(5-7-11)14-12(8-13)9-2-3-9/h4-7,9,12,14H,2-3,8,13H2,1H3
InChIKeyDEKRJCJEWGWUHF-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.24
Rot. Bonds5

About 1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine

1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine (PubChem CID 65193383) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
PubChem CID65193383
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
SMILESCS(=O)(=O)c1ccc(NC(CN)C2CC2)cc1
InChIInChI=1S/C12H18N2O2S/c1-17(15,16)11-6-4-10(5-7-11)14-12(8-13)9-2-3-9/h4-7,9,12,14H,2-3,8,13H2,1H3
InChIKeyDEKRJCJEWGWUHF-UHFFFAOYSA-N
XLogP1.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-4-methylsulfonylbenzamide;hydrochloride
CID 119617428
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
1-cyclopropyl-N-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 65189039
N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 104721795
4-N-(2-amino-1-cyclopropylethyl)-1-N-cyclopropylbenzene-1,4-disulfonamide
CID 119986909
N-(2-amino-1-cyclopropylethyl)-4-tert-butylbenzenesulfonamide
CID 65188828
4-methyl-3-N-(4-methylsulfonylphenyl)pentane-1,3-diamine
CID 114178237
2-methyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 65035671
N-(2-amino-1-cyclopropylethyl)-3,4-dimethylbenzenesulfonamide;hydrochloride
CID 119986951
N-(4-chlorophenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 65382991
1-cyclopentyl-N-(4-methyl-3-nitrophenyl)ethane-1,2-diamine
CID 106738167
N-(2-amino-1-cyclopropylethyl)naphthalene-2-sulfonamide
CID 65188771

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine (CID 65193383) is 1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine is CS(=O)(=O)c1ccc(NC(CN)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine?
The InChIKey is DEKRJCJEWGWUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-17(15,16)11-6-4-10(5-7-11)14-12(8-13)9-2-3-9/h4-7,9,12,14H,2-3,8,13H2,1H3.
What are the key properties of 1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine?
1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine has a molecular weight of 254.35 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65193383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).