N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide

C13H21NO3S2 — CID 97108846

IUPACN-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide
SMILESCO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C)c(C)s1
InChIInChI=1S/C13H21NO3S2/c1-9-8-13(18-10(9)2)19(15,16)14-11-6-4-5-7-12(11)17-3/h8,11-12,14H,4-7H2,1-3H3/t11-,12-/m1/s1
InChIKeyRJHCMXQNCRJQTG-VXGBXAGGSA-N
MW303.45 g/mol
LogP2.60
Rot. Bonds4

About N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide

N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide (PubChem CID 97108846) has the molecular formula C13H21NO3S2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide
PubChem CID97108846
Molecular FormulaC13H21NO3S2
Molecular Weight303.45 g/mol
Exact Mass303.10
IUPAC NameN-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide
SMILESCO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C)c(C)s1
InChIInChI=1S/C13H21NO3S2/c1-9-8-13(18-10(9)2)19(15,16)14-11-6-4-5-7-12(11)17-3/h8,11-12,14H,4-7H2,1-3H3/t11-,12-/m1/s1
InChIKeyRJHCMXQNCRJQTG-VXGBXAGGSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dimethylthiophen-2-yl)sulfonylamino]cyclopentane-1-carboxamide
CID 84596171
5-(2-aminoethyl)-N-(2-methoxycyclopentyl)thiophene-2-sulfonamide
CID 55033280
4,5-dimethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 84597452
5-bromo-4-[(2-methoxycyclopentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 62088385
4-cyano-N-(2-methoxycyclopentyl)-2-methylbenzenesulfonamide
CID 103757199
5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide
CID 106367818
3-methyl-5-[(2-methylcyclohexyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43314452
4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
CID 62088805
2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide
CID 102753338
3-amino-5-chloro-N-(2-methoxycyclopentyl)-4-methylbenzenesulfonamide
CID 62088716
5-bromo-4-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-2-sulfonamide
CID 103739668
N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-4,5-dimethylthiophene-2-sulfonamide
CID 98264603

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide (CID 97108846) is N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide is CO[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(C)c(C)s1.
What is the InChIKey of N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide?
The InChIKey is RJHCMXQNCRJQTG-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H21NO3S2/c1-9-8-13(18-10(9)2)19(15,16)14-11-6-4-5-7-12(11)17-3/h8,11-12,14H,4-7H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide?
N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide has a molecular weight of 303.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methoxycyclohexyl]-4,5-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 97108846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).