N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide

C11H17NO3S2 — CID 60681211

IUPACN-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C11H17NO3S2/c1-17(13,14)12(8-10-4-2-6-15-10)9-11-5-3-7-16-11/h3,5,7,10H,2,4,6,8-9H2,1H3
InChIKeyMPBFEAQOKBOUEZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP1.69
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide

N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide (PubChem CID 60681211) has the molecular formula C11H17NO3S2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
PubChem CID60681211
Molecular FormulaC11H17NO3S2
Molecular Weight275.39 g/mol
Exact Mass275.06
IUPAC NameN-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C11H17NO3S2/c1-17(13,14)12(8-10-4-2-6-15-10)9-11-5-3-7-16-11/h3,5,7,10H,2,4,6,8-9H2,1H3
InChIKeyMPBFEAQOKBOUEZ-UHFFFAOYSA-N
XLogP1.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 39982805
4-ethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 55386619
1-N-cyclohexyl-1-N-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide
CID 6551564
4-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoate
CID 6971383
4-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1154153
3-fluoro-4-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 46458741
4-methoxy-3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 112823045
2-bromo-4,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 17429230
5-chloro-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)imidazole-4-sulfonamide
CID 42955157
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-6-sulfonamide
CID 39982795
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide (CID 60681211) is N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide?
The InChIKey is MPBFEAQOKBOUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S2/c1-17(13,14)12(8-10-4-2-6-15-10)9-11-5-3-7-16-11/h3,5,7,10H,2,4,6,8-9H2,1H3.
What are the key properties of N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide?
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide has a molecular weight of 275.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 60681211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).