N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C15H29N3O4S — CID 3603333

IUPACN-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C15H29N3O4S/c1-2-22-13-5-8-16-15(19)14-6-11-18(12-7-14)23(20,21)17-9-3-4-10-17/h14H,2-13H2,1H3,(H,16,19)
InChIKeyJGTHUDHDZLHWCK-UHFFFAOYSA-N
MW347.48 g/mol
LogP0.58
Rot. Bonds8

About N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3603333) has the molecular formula C15H29N3O4S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3603333
Molecular FormulaC15H29N3O4S
Molecular Weight347.48 g/mol
Exact Mass347.19
IUPAC NameN-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C15H29N3O4S/c1-2-22-13-5-8-16-15(19)14-6-11-18(12-7-14)23(20,21)17-9-3-4-10-17/h14H,2-13H2,1H3,(H,16,19)
InChIKeyJGTHUDHDZLHWCK-UHFFFAOYSA-N
XLogP0.58
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3603333) is N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JGTHUDHDZLHWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4S/c1-2-22-13-5-8-16-15(19)14-6-11-18(12-7-14)23(20,21)17-9-3-4-10-17/h14H,2-13H2,1H3,(H,16,19).
What are the key properties of N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 0.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3603333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).