N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide

C13H22N2O3S2 — CID 126809966

IUPACN-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NC1CCCCC1N(C)C
InChIInChI=1S/C13H22N2O3S2/c1-15(2)11-7-5-4-6-10(11)14-20(16,17)13-12(18-3)8-9-19-13/h8-11,14H,4-7H2,1-3H3
InChIKeyPFQZGAPROWAYGT-UHFFFAOYSA-N
MW318.46 g/mol
LogP1.91
Rot. Bonds5

About N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide

N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide (PubChem CID 126809966) has the molecular formula C13H22N2O3S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide
PubChem CID126809966
Molecular FormulaC13H22N2O3S2
Molecular Weight318.46 g/mol
Exact Mass318.11
IUPAC NameN-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)NC1CCCCC1N(C)C
InChIInChI=1S/C13H22N2O3S2/c1-15(2)11-7-5-4-6-10(11)14-20(16,17)13-12(18-3)8-9-19-13/h8-11,14H,4-7H2,1-3H3
InChIKeyPFQZGAPROWAYGT-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(2-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120726757
3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120725164
3-methoxy-N-(4-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120723173
N-(4-aminocyclohexyl)-3-methoxythiophene-2-sulfonamide;hydrochloride
CID 119970815
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxythiophene-2-sulfonamide
CID 119968016
3-methoxy-N-(2-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120586094
N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 167846855
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methoxythiophene-2-sulfonamide
CID 120607191
3-bromo-N-(2-bromocyclohexyl)thiophene-2-sulfonamide
CID 114297371
N-[2-(dimethylamino)cyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 126826994
1-(3-methoxythiophen-2-yl)sulfonyl-N-methylpiperidin-4-amine
CID 119980148
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide (CID 126809966) is N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)NC1CCCCC1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide?
The InChIKey is PFQZGAPROWAYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S2/c1-15(2)11-7-5-4-6-10(11)14-20(16,17)13-12(18-3)8-9-19-13/h8-11,14H,4-7H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide?
N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide has a molecular weight of 318.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)cyclohexyl]-3-methoxythiophene-2-sulfonamide is sourced from PubChem (CID 126809966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).