1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide

C13H19NO3S — CID 30842118

IUPAC1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C13H19NO3S/c1-11-4-6-12(7-5-11)10-18(15,16)14-9-13-3-2-8-17-13/h4-7,13-14H,2-3,8-10H2,1H3/t13-/m1/s1
InChIKeyLBTXAEJERFTHSR-CYBMUJFWSA-N
MW269.37 g/mol
LogP1.59
Rot. Bonds5

About 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide

1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide (PubChem CID 30842118) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
PubChem CID30842118
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C13H19NO3S/c1-11-4-6-12(7-5-11)10-18(15,16)14-9-13-3-2-8-17-13/h4-7,13-14H,2-3,8-10H2,1H3/t13-/m1/s1
InChIKeyLBTXAEJERFTHSR-CYBMUJFWSA-N
XLogP1.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27210861
3-[(4-methylphenyl)methylsulfonyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3237021
N-[(4-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 16807190
2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 1025737
1-(2,6-dichlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27245579
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-1-(4-methylphenyl)methanesulfonamide
CID 90635543
(4-methylphenyl)methyl 3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976761
1-chloro-N-(oxolan-2-ylmethyl)methanesulfonamide
CID 63665339
4-(benzylsulfonylamino)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2963217
2-(3,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanesulfonamide
CID 110673780
N-[[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]methyl]-1-[(2R)-oxan-2-yl]methanesulfonamide
CID 124731317
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
CID 95344226

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide (CID 30842118) is 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide is Cc1ccc(CS(=O)(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide?
The InChIKey is LBTXAEJERFTHSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-4-6-12(7-5-11)10-18(15,16)14-9-13-3-2-8-17-13/h4-7,13-14H,2-3,8-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide?
1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 30842118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).