4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide

C14H24N2O2S2 — CID 79357755

IUPAC4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C14H24N2O2S2/c1-13(2)11(14(13,3)4)8-16-20(17,18)12-6-10(7-15-5)9-19-12/h6,9,11,15-16H,7-8H2,1-5H3
InChIKeyBBQNPXAIJPOGCX-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.43
Rot. Bonds6

About 4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide

4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide (PubChem CID 79357755) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
PubChem CID79357755
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC Name4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NCC2C(C)(C)C2(C)C)c1
InChIInChI=1S/C14H24N2O2S2/c1-13(2)11(14(13,3)4)8-16-20(17,18)12-6-10(7-15-5)9-19-12/h6,9,11,15-16H,7-8H2,1-5H3
InChIKeyBBQNPXAIJPOGCX-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 114109930
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 106031006
N-(5-methoxypentyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106092805
N-(2-ethylhexyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 107818786
4-(methylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106013512
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-[(4-methyl-1,2,4-triazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106016373
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

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide (CID 79357755) is 4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NCC2C(C)(C)C2(C)C)c1.
What is the InChIKey of 4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide?
The InChIKey is BBQNPXAIJPOGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-13(2)11(14(13,3)4)8-16-20(17,18)12-6-10(7-15-5)9-19-12/h6,9,11,15-16H,7-8H2,1-5H3.
What are the key properties of 4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide?
4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 79357755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).