N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine

C12H16N2O2S — CID 13295163

IUPACN-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine
SMILESC#CCN(Cc1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C12H16N2O2S/c1-4-10-14(17(15,16)13(2)3)11-12-8-6-5-7-9-12/h1,5-9H,10-11H2,2-3H3
InChIKeyMSYCTNOMKMPIJL-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.93
Rot. Bonds5

About N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine

N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine (PubChem CID 13295163) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine
PubChem CID13295163
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine
SMILESC#CCN(Cc1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C12H16N2O2S/c1-4-10-14(17(15,16)13(2)3)11-12-8-6-5-7-9-12/h1,5-9H,10-11H2,2-3H3
InChIKeyMSYCTNOMKMPIJL-UHFFFAOYSA-N
XLogP0.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium N,N-dibenzylsulfamate
CID 141380855
N-[[(1S)-1-cyclopropylethyl]-methylsulfamoyl]-N-[(4-methylphenyl)methyl]prop-2-yn-1-amine
CID 95176759
2-[benzylsulfonyl(prop-2-ynyl)amino]acetic acid
CID 79274773
2-[benzyl-[benzyl(methyl)sulfamoyl]amino]acetic acid
CID 54326605
N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 51258343
N-(3-methylbut-2-enyl)-1-phenyl-N-prop-2-ynylmethanesulfonamide
CID 102219438
N-[(2-fluorophenyl)methyl]-N-prop-2-ynylbenzenesulfonamide
CID 47808296
N-methyl-N-(2-phenylethyl)prop-2-yn-1-amine
CID 10012396
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
N,N-dibenzylpropane-1-sulfonamide
CID 60642874
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-N-prop-2-ynylnitramide
CID 151317576

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine?
The IUPAC name of N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine (CID 13295163) is N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine.
What is the SMILES notation for N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine?
The canonical SMILES for N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine is C#CCN(Cc1ccccc1)S(=O)(=O)N(C)C.
What is the InChIKey of N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine?
The InChIKey is MSYCTNOMKMPIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-4-10-14(17(15,16)13(2)3)11-12-8-6-5-7-9-12/h1,5-9H,10-11H2,2-3H3.
What are the key properties of N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine?
N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine has a molecular weight of 252.34 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(dimethylsulfamoyl)prop-2-yn-1-amine is sourced from PubChem (CID 13295163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).