(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide

C10H15N3O3S2 — CID 155517136

IUPAC(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
SMILESNCc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)s1
InChIInChI=1S/C10H15N3O3S2/c11-6-7-3-4-9(17-7)18(15,16)13-5-1-2-8(13)10(12)14/h3-4,8H,1-2,5-6,11H2,(H2,12,14)/t8-/m0/s1
InChIKeyJVUYIMSQVUCGNO-QMMMGPOBSA-N
MW289.38 g/mol
LogP-0.15
Rot. Bonds4

About (2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide

(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 155517136) has the molecular formula C10H15N3O3S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
PubChem CID155517136
Molecular FormulaC10H15N3O3S2
Molecular Weight289.38 g/mol
Exact Mass289.06
IUPAC Name(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
SMILESNCc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)s1
InChIInChI=1S/C10H15N3O3S2/c11-6-7-3-4-9(17-7)18(15,16)13-5-1-2-8(13)10(12)14/h3-4,8H,1-2,5-6,11H2,(H2,12,14)/t8-/m0/s1
InChIKeyJVUYIMSQVUCGNO-QMMMGPOBSA-N
XLogP-0.15
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide (CID 155517136) is (2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide is NCc1ccc(S(=O)(=O)N2CCC[C@H]2C(N)=O)s1.
What is the InChIKey of (2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is JVUYIMSQVUCGNO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15N3O3S2/c11-6-7-3-4-9(17-7)18(15,16)13-5-1-2-8(13)10(12)14/h3-4,8H,1-2,5-6,11H2,(H2,12,14)/t8-/m0/s1.
What are the key properties of (2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide?
(2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(aminomethyl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155517136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).