N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide

C12H20N2O2S2 — CID 114109930

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCC2CC2(C)C)c1
InChIInChI=1S/C12H20N2O2S2/c1-12(2)5-10(12)7-14-18(15,16)11-4-9(6-13-3)8-17-11/h4,8,10,13-14H,5-7H2,1-3H3
InChIKeyBFBWYEYCCSQROE-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.79
Rot. Bonds6

About N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide

N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 114109930) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID114109930
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCC2CC2(C)C)c1
InChIInChI=1S/C12H20N2O2S2/c1-12(2)5-10(12)7-14-18(15,16)11-4-9(6-13-3)8-17-11/h4,8,10,13-14H,5-7H2,1-3H3
InChIKeyBFBWYEYCCSQROE-UHFFFAOYSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 79357755
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
5-[(2,2-dimethylcyclopropyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 114107620
4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106031006
N-[2-[butan-2-yl(methyl)amino]ethyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106094336
4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092955
4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106410707
N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065876
4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106090814
N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106092805
5-cyano-N-[(2,2-dimethylcyclopropyl)methyl]thiophene-2-sulfonamide
CID 114166495
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081596

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 114109930) is N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NCC2CC2(C)C)c1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is BFBWYEYCCSQROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-12(2)5-10(12)7-14-18(15,16)11-4-9(6-13-3)8-17-11/h4,8,10,13-14H,5-7H2,1-3H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 114109930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).