5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride

C13H23ClN2O2S2 — CID 119974367

IUPAC5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC2CCCN2)s1.Cl
InChIInChI=1S/C13H22N2O2S2.ClH/c1-13(2,3)11-6-7-12(18-11)19(16,17)15-9-10-5-4-8-14-10;/h6-7,10,14-15H,4-5,8-9H2,1-3H3;1H
InChIKeyREXRUACHLWBTTD-UHFFFAOYSA-N
MW338.93 g/mol
LogP2.50
Rot. Bonds4

About 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride

5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride (PubChem CID 119974367) has the molecular formula C13H23ClN2O2S2 and a molecular weight of 338.93 g/mol. Its IUPAC name is 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride
PubChem CID119974367
Molecular FormulaC13H23ClN2O2S2
Molecular Weight338.93 g/mol
Exact Mass338.09
IUPAC Name5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride
SMILESCC(C)(C)c1ccc(S(=O)(=O)NCC2CCCN2)s1.Cl
InChIInChI=1S/C13H22N2O2S2.ClH/c1-13(2,3)11-6-7-12(18-11)19(16,17)15-9-10-5-4-8-14-10;/h6-7,10,14-15H,4-5,8-9H2,1-3H3;1H
InChIKeyREXRUACHLWBTTD-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.93
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[[(2R)-pyrrolidin-2-yl]methyl]thiophene-2-sulfonamide
CID 94479341
2,5-dichloro-N-(pyrrolidin-2-ylmethyl)thiophene-3-sulfonamide;hydrochloride
CID 119974225
N-(2-amino-2-cyclopropylethyl)-5-tert-butylthiophene-2-sulfonamide
CID 120582292
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
2,3-difluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974119
5-tert-butyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 119967115
5-tert-butyl-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]thiophene-2-sulfonamide
CID 99594969
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119974473
5-cyano-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974339
4-butan-2-yl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974008

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride (CID 119974367) is 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride is CC(C)(C)c1ccc(S(=O)(=O)NCC2CCCN2)s1.Cl.
What is the InChIKey of 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride?
The InChIKey is REXRUACHLWBTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2.ClH/c1-13(2,3)11-6-7-12(18-11)19(16,17)15-9-10-5-4-8-14-10;/h6-7,10,14-15H,4-5,8-9H2,1-3H3;1H.
What are the key properties of 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride?
5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride has a molecular weight of 338.93 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 119974367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).