N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine

C12H20N2O2S — CID 115195756

IUPACN-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine
SMILESCNCCNc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H20N2O2S/c1-10(2)17(15,16)12-6-4-11(5-7-12)14-9-8-13-3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyNNRFYRDQRGOSTP-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.50
Rot. Bonds6

About N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine

N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine (PubChem CID 115195756) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine
PubChem CID115195756
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine
SMILESCNCCNc1ccc(S(=O)(=O)C(C)C)cc1
InChIInChI=1S/C12H20N2O2S/c1-10(2)17(15,16)12-6-4-11(5-7-12)14-9-8-13-3/h4-7,10,13-14H,8-9H2,1-3H3
InChIKeyNNRFYRDQRGOSTP-UHFFFAOYSA-N
XLogP1.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-propan-2-ylsulfonylanilino)acetaldehyde
CID 115222671
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4-(difluoromethylsulfonyl)-N-(2-propan-2-yloxyethyl)aniline
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N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
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4-(difluoromethylsulfonyl)-N-(3,3-dimethylbutyl)aniline
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N-[2-[4-(difluoromethylsulfonyl)anilino]ethyl]-4-methylbenzenesulfonamide
CID 60500507
4-(difluoromethylsulfonyl)-N-(2-methylbutyl)aniline
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2-(4-propan-2-ylsulfonylphenyl)ethanol
CID 69406011
2-oxo-2-(4-propan-2-ylsulfonylanilino)acetic acid
CID 82502013
ethyl N-(4-propan-2-ylsulfonylphenyl)carbamate
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CID 116955174

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine (CID 115195756) is N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine is CNCCNc1ccc(S(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine?
The InChIKey is NNRFYRDQRGOSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-10(2)17(15,16)12-6-4-11(5-7-12)14-9-8-13-3/h4-7,10,13-14H,8-9H2,1-3H3.
What are the key properties of N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine?
N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine has a molecular weight of 256.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(4-propan-2-ylsulfonylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 115195756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).