5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide

C14H21BrN2O2S2 — CID 106630061

IUPAC5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C14H21BrN2O2S2/c1-10-13(8-14(15)20-10)21(18,19)17(12-5-6-12)9-11-4-2-3-7-16-11/h8,11-12,16H,2-7,9H2,1H3
InChIKeyGZBCQCVCLWXQDX-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.11
Rot. Bonds5

About 5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide

5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106630061) has the molecular formula C14H21BrN2O2S2 and a molecular weight of 393.37 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID106630061
Molecular FormulaC14H21BrN2O2S2
Molecular Weight393.37 g/mol
Exact Mass392.02
IUPAC Name5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)N(CC1CCCCN1)C1CC1
InChIInChI=1S/C14H21BrN2O2S2/c1-10-13(8-14(15)20-10)21(18,19)17(12-5-6-12)9-11-4-2-3-7-16-11/h8,11-12,16H,2-7,9H2,1H3
InChIKeyGZBCQCVCLWXQDX-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630089
N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
CID 106599498
3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630030
N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599610
N-(dimethylsulfamoyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106630069
3-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630056
4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 107650210
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106609340
N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599587
5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 106626893
5-bromo-2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-3-sulfonamide
CID 106630942
N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106599631

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide (CID 106630061) is 5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)N(CC1CCCCN1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is GZBCQCVCLWXQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S2/c1-10-13(8-14(15)20-10)21(18,19)17(12-5-6-12)9-11-4-2-3-7-16-11/h8,11-12,16H,2-7,9H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide?
5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 393.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106630061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).