N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide

C14H28N2O3S — CID 4295316

IUPACN-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C14H28N2O3S/c1-4-11-20(18,19)16-9-6-13(7-10-16)14(17)15-8-5-12(2)3/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyAYZMPXHCUOZQKC-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.60
Rot. Bonds7

About N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide

N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide (PubChem CID 4295316) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide
PubChem CID4295316
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(C(=O)NCCC(C)C)CC1
InChIInChI=1S/C14H28N2O3S/c1-4-11-20(18,19)16-9-6-13(7-10-16)14(17)15-8-5-12(2)3/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyAYZMPXHCUOZQKC-UHFFFAOYSA-N
XLogP1.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide (CID 4295316) is N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide is CCCS(=O)(=O)N1CCC(C(=O)NCCC(C)C)CC1.
What is the InChIKey of N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide?
The InChIKey is AYZMPXHCUOZQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-4-11-20(18,19)16-9-6-13(7-10-16)14(17)15-8-5-12(2)3/h12-13H,4-11H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide?
N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide has a molecular weight of 304.46 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-propylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 4295316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).