N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide

C13H20N2O2S2 — CID 106599498

IUPACN-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC2CCCN2)C2CC2)s1
InChIInChI=1S/C13H20N2O2S2/c1-10-4-7-13(18-10)19(16,17)15(12-5-6-12)9-11-3-2-8-14-11/h4,7,11-12,14H,2-3,5-6,8-9H2,1H3
InChIKeyQWXSVDSXJHPSHQ-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.96
Rot. Bonds5

About N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide

N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 106599498) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID106599498
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC2CCCN2)C2CC2)s1
InChIInChI=1S/C13H20N2O2S2/c1-10-4-7-13(18-10)19(16,17)15(12-5-6-12)9-11-3-2-8-14-11/h4,7,11-12,14H,2-3,5-6,8-9H2,1H3
InChIKeyQWXSVDSXJHPSHQ-UHFFFAOYSA-N
XLogP1.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599587
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 78872535
N-cyclopropyl-2,6-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599513
5-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 54923399
5-bromo-N-cyclopropyl-2-methyl-N-(piperidin-2-ylmethyl)thiophene-3-sulfonamide
CID 106630061
N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106599631
4-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630089
N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599551
N-cyclopropyl-2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106599610
4-bromo-N-cyclopropyl-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 107650210
3-chloro-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630056
3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630030

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide (CID 106599498) is N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)N(CC2CCCN2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is QWXSVDSXJHPSHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-10-4-7-13(18-10)19(16,17)15(12-5-6-12)9-11-3-2-8-14-11/h4,7,11-12,14H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide?
N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 300.45 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 106599498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).