N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride

C16H26ClN3O3S2 — CID 120574973

IUPACN-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1.Cl
InChIInChI=1S/C16H25N3O3S2.ClH/c1-12-14(5-4-8-17-12)18-15(20)11-13-6-7-16(23-13)24(21,22)19-9-2-3-10-19;/h6-7,12,14,17H,2-5,8-11H2,1H3,(H,18,20);1H
InChIKeyLSUJMXVQUATUMH-UHFFFAOYSA-N
MW407.99 g/mol
LogP1.75
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride

N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride (PubChem CID 120574973) has the molecular formula C16H26ClN3O3S2 and a molecular weight of 407.99 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
PubChem CID120574973
Molecular FormulaC16H26ClN3O3S2
Molecular Weight407.99 g/mol
Exact Mass407.11
IUPAC NameN-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride
SMILESCC1NCCCC1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1.Cl
InChIInChI=1S/C16H25N3O3S2.ClH/c1-12-14(5-4-8-17-12)18-15(20)11-13-6-7-16(23-13)24(21,22)19-9-2-3-10-19;/h6-7,12,14,17H,2-5,8-11H2,1H3,(H,18,20);1H
InChIKeyLSUJMXVQUATUMH-UHFFFAOYSA-N
XLogP1.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride (CID 120574973) is N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride is CC1NCCCC1NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride?
The InChIKey is LSUJMXVQUATUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S2.ClH/c1-12-14(5-4-8-17-12)18-15(20)11-13-6-7-16(23-13)24(21,22)19-9-2-3-10-19;/h6-7,12,14,17H,2-5,8-11H2,1H3,(H,18,20);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride has a molecular weight of 407.99 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 120574973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).