[5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine

C15H18N2O2S2 — CID 106266197

IUPAC[5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCCC2c2ccccc2)s1
InChIInChI=1S/C15H18N2O2S2/c16-11-13-8-9-15(20-13)21(18,19)17-10-4-7-14(17)12-5-2-1-3-6-12/h1-3,5-6,8-9,14H,4,7,10-11,16H2
InChIKeyCEMIVPQZYJTQRK-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.73
Rot. Bonds4

About [5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine

[5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 106266197) has the molecular formula C15H18N2O2S2 and a molecular weight of 322.46 g/mol. Its IUPAC name is [5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID106266197
Molecular FormulaC15H18N2O2S2
Molecular Weight322.46 g/mol
Exact Mass322.08
IUPAC Name[5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)N2CCCC2c2ccccc2)s1
InChIInChI=1S/C15H18N2O2S2/c16-11-13-8-9-15(20-13)21(18,19)17-10-4-7-14(17)12-5-2-1-3-6-12/h1-3,5-6,8-9,14H,4,7,10-11,16H2
InChIKeyCEMIVPQZYJTQRK-UHFFFAOYSA-N
XLogP2.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N2-[(4-methylphenyl)methyl]thiophene-2,5-disulfonamide
CID 444607
N-benzylthiophene-2-sulfonamide
CID 765826
1-(Phenylsulfonyl)-2-(2-thienyl)pyrrolidine
CID 2805670
5-methyl-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 2148031
N-[1-(4-methylphenyl)propyl]thiophene-2-sulfonamide
CID 4768760
2-[(Tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460459
4-[2-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 20033733
4-[4-[(2-Methylpropylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261823
US10807974, Example 14
CID 130344852
US10807974, Example 15
CID 130344869
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide hydrochloride
CID 2968958
1-Benzyl-4-(thiophene-2-sulfonyl)-piperazine
CID 649627

Frequently Asked Questions

What is the IUPAC name of [5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine (CID 106266197) is [5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine is NCc1ccc(S(=O)(=O)N2CCCC2c2ccccc2)s1.
What is the InChIKey of [5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is CEMIVPQZYJTQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S2/c16-11-13-8-9-15(20-13)21(18,19)17-10-4-7-14(17)12-5-2-1-3-6-12/h1-3,5-6,8-9,14H,4,7,10-11,16H2.
What are the key properties of [5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine?
[5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 322.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-phenylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 106266197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).