N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide

C13H16N2O2S2 — CID 11543908

IUPACN-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCc1csc2ccccc12)N1CCCC1
InChIInChI=1S/C13H16N2O2S2/c16-19(17,15-7-3-4-8-15)14-9-11-10-18-13-6-2-1-5-12(11)13/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyFGAYCRCBFGURHI-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.33
Rot. Bonds4

About N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide

N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide (PubChem CID 11543908) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide
PubChem CID11543908
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCc1csc2ccccc12)N1CCCC1
InChIInChI=1S/C13H16N2O2S2/c16-19(17,15-7-3-4-8-15)14-9-11-10-18-13-6-2-1-5-12(11)13/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyFGAYCRCBFGURHI-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
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CID 14994410
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CID 2826149
N-(1-benzothiophen-3-ylmethyl)cycloheptanamine
CID 55199785
N-(1-benzothiophen-3-ylmethyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 3874820
1-(1-benzothiophen-3-yl)-N-(piperazin-1-ylmethyl)methanamine
CID 115230036
2-(1-benzothiophen-3-ylmethylamino)-N-propan-2-ylacetamide
CID 60704968
N-(1-benzothiophen-3-ylmethyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55785774
N-(1-benzothiophen-3-ylmethyl)-1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 55785759
1-(1-benzothiophen-3-yl)-3-methyl-3-piperidin-1-ylbutan-2-one
CID 79051561
2-(1-benzothiophen-3-ylmethylamino)acetic acid
CID 62699978
N-(1-benzothiophen-3-ylmethyl)-2,6-dichloroaniline
CID 65468569

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide (CID 11543908) is N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide is O=S(=O)(NCc1csc2ccccc12)N1CCCC1.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide?
The InChIKey is FGAYCRCBFGURHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c16-19(17,15-7-3-4-8-15)14-9-11-10-18-13-6-2-1-5-12(11)13/h1-2,5-6,10,14H,3-4,7-9H2.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide?
N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 11543908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).