N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide

C12H17NO2S — CID 110726778

IUPACN-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)N(C)C1CC1
InChIInChI=1S/C12H17NO2S/c1-10-5-3-4-6-11(10)9-16(14,15)13(2)12-7-8-12/h3-6,12H,7-9H2,1-2H3
InChIKeySQPXNMOHQNTBGJ-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.92
Rot. Bonds4

About N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide

N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide (PubChem CID 110726778) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide
PubChem CID110726778
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)N(C)C1CC1
InChIInChI=1S/C12H17NO2S/c1-10-5-3-4-6-11(10)9-16(14,15)13(2)12-7-8-12/h3-6,12H,7-9H2,1-2H3
InChIKeySQPXNMOHQNTBGJ-UHFFFAOYSA-N
XLogP1.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(2-methylphenyl)-N-pyridin-2-ylmethanesulfonamide
CID 110723172
N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropanamine
CID 67231400
N-cyclopropyl-1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 110718334
(2-methylphenyl)methanesulfonamide;hydrochloride
CID 70129297
1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446862
1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide
CID 54884458
3-[(2-methylphenyl)methylsulfonyl]-3,8-diazabicyclo[3.2.1]octane
CID 166248639
N,N-dimethyl-4-[(2-methylphenyl)methylsulfonyl]piperazine-1-sulfonamide
CID 110819070
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-(2-methylphenyl)methanesulfonamide
CID 27210550
1-[2-(aminomethyl)phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide
CID 43648691
N-(3,4-dimethoxyphenyl)-N-methyl-1-(2-methylphenyl)methanesulfonamide
CID 110425472
1-(2-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)methanesulfonamide
CID 110714984

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide (CID 110726778) is N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is SQPXNMOHQNTBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-10-5-3-4-6-11(10)9-16(14,15)13(2)12-7-8-12/h3-6,12H,7-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide?
N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 110726778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).