N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide

C15H24N2O2S2 — CID 102754090

IUPACN-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C15H24N2O2S2/c1-3-16-8-14-15(11(2)10-20-14)21(18,19)17(13-6-7-13)9-12-4-5-12/h10,12-13,16H,3-9H2,1-2H3
InChIKeyCUPOCITZMIKHKT-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.73
Rot. Bonds8

About N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide

N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide (PubChem CID 102754090) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
PubChem CID102754090
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
SMILESCCNCc1scc(C)c1S(=O)(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C15H24N2O2S2/c1-3-16-8-14-15(11(2)10-20-14)21(18,19)17(13-6-7-13)9-12-4-5-12/h10,12-13,16H,3-9H2,1-2H3
InChIKeyCUPOCITZMIKHKT-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-ethyl-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102751319
N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102751317
N-cyclopropyl-4-methyl-2-[(propan-2-ylamino)methyl]-N-prop-2-enylthiophene-3-sulfonamide
CID 102754612
2-(ethylaminomethyl)-N,4-dimethyl-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 102754636
N-(cyclopropylmethyl)-4-methyl-2-(propylaminomethyl)thiophene-3-sulfonamide
CID 102752081
2-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 106032001
2-(chloromethyl)-N-cyclohexyl-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102750332
2-(ethylaminomethyl)-N-(2-methoxycyclopentyl)-4-methylthiophene-3-sulfonamide
CID 102753338
N-(2,2-dimethylcyclopropyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide
CID 102753134
2-(chloromethyl)-N-cyclopropyl-N,4-dimethylthiophene-3-sulfonamide
CID 102750385
N-cyclopropyl-N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 64522429
N-[[4-methyl-3-(3-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102754750

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The IUPAC name of N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide (CID 102754090) is N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The canonical SMILES for N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide is CCNCc1scc(C)c1S(=O)(=O)N(CC1CC1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
The InChIKey is CUPOCITZMIKHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-3-16-8-14-15(11(2)10-20-14)21(18,19)17(13-6-7-13)9-12-4-5-12/h10,12-13,16H,3-9H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide?
N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(cyclopropylmethyl)-2-(ethylaminomethyl)-4-methylthiophene-3-sulfonamide is sourced from PubChem (CID 102754090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).