N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide

C11H18N2O2S2 — CID 95395150

IUPACN-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCCCN([C@H]1CCNC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C11H18N2O2S2/c1-2-7-13(10-5-6-12-9-10)17(14,15)11-4-3-8-16-11/h3-4,8,10,12H,2,5-7,9H2,1H3/t10-/m0/s1
InChIKeyZDMVTZKHQBOJQD-JTQLQIEISA-N
MW274.41 g/mol
LogP1.51
Rot. Bonds5

About N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide

N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide (PubChem CID 95395150) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide
PubChem CID95395150
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC NameN-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide
SMILESCCCN([C@H]1CCNC1)S(=O)(=O)c1cccs1
InChIInChI=1S/C11H18N2O2S2/c1-2-7-13(10-5-6-12-9-10)17(14,15)11-4-3-8-16-11/h3-4,8,10,12H,2,5-7,9H2,1H3/t10-/m0/s1
InChIKeyZDMVTZKHQBOJQD-JTQLQIEISA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 63299353
N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylthiophene-2-sulfonamide;hydrochloride
CID 146065101
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-disulfonamide
CID 119976410
2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976534
N-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-sulfonamide
CID 71641141
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
N-methyl-N-[(3R)-piperidin-3-yl]thiophene-2-sulfonamide;hydrochloride
CID 71640930
2-[piperidin-4-yl(thiophen-2-ylsulfonyl)amino]acetamide
CID 60802279
5-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 54923399
2,4,6-trimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300552
N-cyclopropyl-N-(2-hydroxyethyl)thiophene-2-sulfonamide
CID 43577528
2-bromo-3-chloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 120709411

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide (CID 95395150) is N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide is CCCN([C@H]1CCNC1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is ZDMVTZKHQBOJQD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-2-7-13(10-5-6-12-9-10)17(14,15)11-4-3-8-16-11/h3-4,8,10,12H,2,5-7,9H2,1H3/t10-/m0/s1.
What are the key properties of N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide?
N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 274.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[(3S)-pyrrolidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 95395150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).