2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide

C14H18N2O2S3 — CID 102752582

IUPAC2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H18N2O2S3/c1-10-9-20-13(7-15)14(10)21(17,18)16(11-4-5-11)8-12-3-2-6-19-12/h2-3,6,9,11H,4-5,7-8,15H2,1H3
InChIKeyIKFNIOOBVJVLJU-UHFFFAOYSA-N
MW342.51 g/mol
LogP2.93
Rot. Bonds6

About 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide

2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 102752582) has the molecular formula C14H18N2O2S3 and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID102752582
Molecular FormulaC14H18N2O2S3
Molecular Weight342.51 g/mol
Exact Mass342.05
IUPAC Name2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1csc(CN)c1S(=O)(=O)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H18N2O2S3/c1-10-9-20-13(7-15)14(10)21(17,18)16(11-4-5-11)8-12-3-2-6-19-12/h2-3,6,9,11H,4-5,7-8,15H2,1H3
InChIKeyIKFNIOOBVJVLJU-UHFFFAOYSA-N
XLogP2.93
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 102750604
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
N-cyclopropyl-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35389306
N-cyclopropyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61383748
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158478
5-methyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 90610868
4-acetyl-N-cyclopentyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 3837819
5-amino-2-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 65207195
N,4-dimethyl-2-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)thiophene-3-sulfonamide
CID 102754325
3-amino-N-cyclopropyl-1-ethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 61111603
N-[(3S)-1,1-dioxothiolan-3-yl]-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 40754320
N-cyclopropyl-6-oxo-N-(thiophen-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 60960278

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide (CID 102752582) is 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide is Cc1csc(CN)c1S(=O)(=O)N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is IKFNIOOBVJVLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S3/c1-10-9-20-13(7-15)14(10)21(17,18)16(11-4-5-11)8-12-3-2-6-19-12/h2-3,6,9,11H,4-5,7-8,15H2,1H3.
What are the key properties of 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide?
2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 342.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102752582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).