N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide

C14H24N2O2S2 — CID 106065891

IUPACN-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)CC2CC2)c(C)s1
InChIInChI=1S/C14H24N2O2S2/c1-4-15-9-13-8-14(11(3)19-13)20(17,18)16-10(2)7-12-5-6-12/h8,10,12,15-16H,4-7,9H2,1-3H3
InChIKeyOMKZJZRPDUYKAZ-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.63
Rot. Bonds8

About N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide

N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide (PubChem CID 106065891) has the molecular formula C14H24N2O2S2 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
PubChem CID106065891
Molecular FormulaC14H24N2O2S2
Molecular Weight316.49 g/mol
Exact Mass316.13
IUPAC NameN-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NC(C)CC2CC2)c(C)s1
InChIInChI=1S/C14H24N2O2S2/c1-4-15-9-13-8-14(11(3)19-13)20(17,18)16-10(2)7-12-5-6-12/h8,10,12,15-16H,4-7,9H2,1-3H3
InChIKeyOMKZJZRPDUYKAZ-UHFFFAOYSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(1-cyclopropylpropan-2-yl)-2-methylthiophene-3-sulfonamide
CID 106065775
2-bromo-N-(1-cyclopropylpropan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106065676
N-(1-cyclopropylpropan-2-yl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106065790
N-(2,2-dimethylcyclopentyl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide
CID 106071112
N-(cyclopentylmethyl)-2-methyl-5-(propylaminomethyl)thiophene-3-sulfonamide
CID 106026782
5-(ethylaminomethyl)-2-methyl-N-(2-methyloxan-4-yl)thiophene-3-sulfonamide
CID 106094017
N-(1-cyclopropylpropan-2-yl)-1-ethyl-5-(ethylaminomethyl)pyrrole-3-sulfonamide
CID 106065897
N-[1-(dimethylamino)propan-2-yl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106074298
2-bromo-N-[1-(dimethylamino)propan-2-yl]-5-(ethylaminomethyl)thiophene-3-sulfonamide
CID 106074422
N-(1-cyclopropylpropan-2-yl)-3-(ethylaminomethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106065894
4-(1-cyclopropylbutan-2-ylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63994247
2-methyl-N-(3-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]thiophene-3-sulfonamide
CID 106053785

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide (CID 106065891) is N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide is CCNCc1cc(S(=O)(=O)NC(C)CC2CC2)c(C)s1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide?
The InChIKey is OMKZJZRPDUYKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S2/c1-4-15-9-13-8-14(11(3)19-13)20(17,18)16-10(2)7-12-5-6-12/h8,10,12,15-16H,4-7,9H2,1-3H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide?
N-(1-cyclopropylpropan-2-yl)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide has a molecular weight of 316.49 g/mol, XLogP of 2.63, 8 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)-5-(ethylaminomethyl)-2-methylthiophene-3-sulfonamide is sourced from PubChem (CID 106065891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).