N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide

C12H20N2O2S2 — CID 106065876

IUPACN-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC(C)CC2CC2)c1
InChIInChI=1S/C12H20N2O2S2/c1-9(5-10-3-4-10)14-18(15,16)12-6-11(7-13-2)8-17-12/h6,8-10,13-14H,3-5,7H2,1-2H3
InChIKeyFRYGJYFUNOUMAP-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.93
Rot. Bonds7

About N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide

N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide (PubChem CID 106065876) has the molecular formula C12H20N2O2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
PubChem CID106065876
Molecular FormulaC12H20N2O2S2
Molecular Weight288.44 g/mol
Exact Mass288.10
IUPAC NameN-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
SMILESCNCc1csc(S(=O)(=O)NC(C)CC2CC2)c1
InChIInChI=1S/C12H20N2O2S2/c1-9(5-10-3-4-10)14-18(15,16)12-6-11(7-13-2)8-17-12/h6,8-10,13-14H,3-5,7H2,1-2H3
InChIKeyFRYGJYFUNOUMAP-UHFFFAOYSA-N
XLogP1.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106065790
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylbutan-2-yl)thiophene-2-sulfonamide
CID 106063979
N-(1-cyclopentylethyl)-4-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106065988
4-(methylaminomethyl)-N-(thian-3-yl)thiophene-2-sulfonamide
CID 106081596
4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 114140871
4-(methylaminomethyl)-N-(oxan-4-ylmethyl)thiophene-2-sulfonamide
CID 106063055
N-(1-cyclopentylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106066079
4-(methylaminomethyl)-N-(4-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106090814
N-(1-cyclohexylethyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106056863
4-(methylaminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 106218494
N-[(2,2-dimethylcyclopropyl)methyl]-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 114109930
4-(methylaminomethyl)-N-[2-(oxolan-3-yl)ethyl]thiophene-2-sulfonamide
CID 106092955

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide (CID 106065876) is N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide is CNCc1csc(S(=O)(=O)NC(C)CC2CC2)c1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
The InChIKey is FRYGJYFUNOUMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S2/c1-9(5-10-3-4-10)14-18(15,16)12-6-11(7-13-2)8-17-12/h6,8-10,13-14H,3-5,7H2,1-2H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide?
N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide has a molecular weight of 288.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106065876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).