N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide

C9H15NO2S — CID 137427518

IUPACN-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide
SMILESCC1C=C(CNS(C)(=O)=O)C=CC1
InChIInChI=1S/C9H15NO2S/c1-8-4-3-5-9(6-8)7-10-13(2,11)12/h3,5-6,8,10H,4,7H2,1-2H3
InChIKeyIQPZWEANQAJSIZ-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.06
Rot. Bonds3

About N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide

N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide (PubChem CID 137427518) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide
PubChem CID137427518
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC NameN-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide
SMILESCC1C=C(CNS(C)(=O)=O)C=CC1
InChIInChI=1S/C9H15NO2S/c1-8-4-3-5-9(6-8)7-10-13(2,11)12/h3,5-6,8,10H,4,7H2,1-2H3
InChIKeyIQPZWEANQAJSIZ-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[3-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]phenyl]ethanamine
CID 163568001
N-[(2-methylcyclopropyl)methyl]methanesulfonamide
CID 115581733
N-[(3,5,6-trimethylpyrazin-2-yl)methyl]methanesulfonamide
CID 58092117
1-methyl-3-(3-methylcyclohexa-1,5-dien-1-yl)sulfonylbenzene
CID 71029961
2-isocyanato-6-methylcyclohexa-1,3-diene
CID 88918818
tert-butyl 2-[(3S)-3-methyl-1-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]azetidin-2-yl]acetate
CID 146222834
CID 70601747
CID 70601747
3-methyl-1-(3-methylcyclobuten-1-yl)sulfonylcyclobutene
CID 141000803
tert-butyl N-(3-methylcyclohexa-1,5-dien-1-yl)carbamate
CID 91074692
(2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 129397971
N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide
CID 126558714

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide (CID 137427518) is N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide is CC1C=C(CNS(C)(=O)=O)C=CC1.
What is the InChIKey of N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide?
The InChIKey is IQPZWEANQAJSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-8-4-3-5-9(6-8)7-10-13(2,11)12/h3,5-6,8,10H,4,7H2,1-2H3.
What are the key properties of N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide?
N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide has a molecular weight of 201.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexa-1,5-dien-1-yl)methyl]methanesulfonamide is sourced from PubChem (CID 137427518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).