ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide

C15H25NO2S — CID 142832998

IUPACethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide
SMILESCC.Cc1ccc(C2(CN(C)S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C13H19NO2S.C2H6/c1-11-4-6-12(7-5-11)13(8-9-13)10-14(2)17(3,15)16;1-2/h4-7H,8-10H2,1-3H3;1-2H3
InChIKeyGCKZCZGFHPIPQD-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.94
Rot. Bonds4

About ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide

ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide (PubChem CID 142832998) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide.

Molecular Properties

Compound Nameethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide
PubChem CID142832998
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Nameethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide
SMILESCC.Cc1ccc(C2(CN(C)S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C13H19NO2S.C2H6/c1-11-4-6-12(7-5-11)13(8-9-13)10-14(2)17(3,15)16;1-2/h4-7H,8-10H2,1-3H3;1-2H3
InChIKeyGCKZCZGFHPIPQD-UHFFFAOYSA-N
XLogP2.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019776
N-[[1-(4-methylphenyl)cyclopropyl]methyl]-N-propan-2-ylpropan-2-amine
CID 59019999
N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019765
N,N-dimethyl-1-[1-(4-methylphenyl)cyclobutyl]methanamine
CID 59020082
N,N-dimethyl-1-[1-(4-methylphenyl)cyclopentyl]methanamine
CID 21365310
N-methyl-N-[(4-phenyl-3,5-dihydro-2H-pyridin-4-yl)methyl]methanesulfonamide
CID 143792358
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
N,N-dimethyl-1-[4-(4-methylphenyl)oxan-4-yl]methanamine
CID 59837374
N-methyl-N-[[1-(4-methylphenyl)cyclopentyl]methyl]acetamide
CID 59019943
ethane;methyl 2-[1-(4-methylphenyl)cyclopropyl]acetate
CID 144672012
N-[2-[methyl-[[1-(4-methylphenyl)cyclobutyl]methyl]amino]ethyl]formamide
CID 142833148
1-[1-(isocyanatomethyl)cyclopropyl]-4-methylbenzene
CID 82075292

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide?
The IUPAC name of ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide (CID 142832998) is ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide.
What is the SMILES notation for ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide?
The canonical SMILES for ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide is CC.Cc1ccc(C2(CN(C)S(C)(=O)=O)CC2)cc1.
What is the InChIKey of ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide?
The InChIKey is GCKZCZGFHPIPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S.C2H6/c1-11-4-6-12(7-5-11)13(8-9-13)10-14(2)17(3,15)16;1-2/h4-7H,8-10H2,1-3H3;1-2H3.
What are the key properties of ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide?
ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]methanesulfonamide is sourced from PubChem (CID 142832998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).