5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide

C15H23N3O3S2 — CID 119449859

IUPAC5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCNC3)s2)CC1
InChIInChI=1S/C15H23N3O3S2/c1-11-5-8-18(9-6-11)23(20,21)14-3-2-13(22-14)15(19)17-12-4-7-16-10-12/h2-3,11-12,16H,4-10H2,1H3,(H,17,19)
InChIKeyBDCCBQWWBHFODM-UHFFFAOYSA-N
MW357.50 g/mol
LogP1.26
Rot. Bonds4

About 5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide

5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide (PubChem CID 119449859) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
PubChem CID119449859
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC Name5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCNC3)s2)CC1
InChIInChI=1S/C15H23N3O3S2/c1-11-5-8-18(9-6-11)23(20,21)14-3-2-13(22-14)15(19)17-12-4-7-16-10-12/h2-3,11-12,16H,4-10H2,1H3,(H,17,19)
InChIKeyBDCCBQWWBHFODM-UHFFFAOYSA-N
XLogP1.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The IUPAC name of 5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide (CID 119449859) is 5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide is CC1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCNC3)s2)CC1.
What is the InChIKey of 5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
The InChIKey is BDCCBQWWBHFODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-11-5-8-18(9-6-11)23(20,21)14-3-2-13(22-14)15(19)17-12-4-7-16-10-12/h2-3,11-12,16H,4-10H2,1H3,(H,17,19).
What are the key properties of 5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide?
5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperidin-1-yl)sulfonyl-N-pyrrolidin-3-ylthiophene-2-carboxamide is sourced from PubChem (CID 119449859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).