N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C14H24N2O2S2 — CID 106067360

IUPACN-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCC(C)C(C)C2)cs1
InChIInChI=1S/C14H24N2O2S2/c1-10-4-5-12(6-11(10)2)16-20(17,18)14-7-13(8-15-3)19-9-14/h7,9-12,15-16H,4-6,8H2,1-3H3
InChIKeyFHUNBHSSTZHSHN-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.57
Rot. Bonds5

About N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106067360) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106067360
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCC(C)C(C)C2)cs1
InChIInChI=1S/C14H24N2O2S2/c1-10-4-5-12(6-11(10)2)16-20(17,18)14-7-13(8-15-3)19-9-14/h7,9-12,15-16H,4-6,8H2,1-3H3
InChIKeyFHUNBHSSTZHSHN-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087840
N-(1,1-dioxothian-3-yl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106065925
5-(hydroxymethyl)-N-(3-methylcyclopentyl)thiophene-3-sulfonamide
CID 114551653
N-(2-bicyclo[2.2.1]heptanyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106067705
5-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]thiophene-3-sulfonamide
CID 106089898
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
N-(2-methyloxan-4-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106093881
5-[(cyclopropylamino)methyl]-N-(thian-4-yl)thiophene-3-sulfonamide
CID 106084390
N-(3-methylsulfanylcyclopentyl)-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106092174
4-amino-N-(3,4-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 64740663
5-(methylaminomethyl)-N-(thian-4-ylmethyl)thiophene-3-sulfonamide
CID 106078542
N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001330

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106067360) is N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2CCC(C)C(C)C2)cs1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is FHUNBHSSTZHSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-10-4-5-12(6-11(10)2)16-20(17,18)14-7-13(8-15-3)19-9-14/h7,9-12,15-16H,4-6,8H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106067360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).