N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide

C14H26N2O3S — CID 63924517

IUPACN-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NC2CCCS(=O)(=O)C2)CCNCC1
InChIInChI=1S/C14H26N2O3S/c1-2-5-14(6-8-15-9-7-14)13(17)16-12-4-3-10-20(18,19)11-12/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyZFCISZVOADVFDI-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.85
Rot. Bonds4

About N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide

N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide (PubChem CID 63924517) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide
PubChem CID63924517
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NC2CCCS(=O)(=O)C2)CCNCC1
InChIInChI=1S/C14H26N2O3S/c1-2-5-14(6-8-15-9-7-14)13(17)16-12-4-3-10-20(18,19)11-12/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyZFCISZVOADVFDI-UHFFFAOYSA-N
XLogP0.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-3-propylpyrrolidine-3-carboxamide
CID 63142561
N-cyclopentyl-3-propylpyrrolidine-3-carboxamide
CID 63141137
N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide
CID 63130418
1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide
CID 63921726
(3R)-N-[(3R)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369661
(3S)-N-[(3S)-1,1-dioxothian-3-yl]-3-methylpiperidine-3-carboxamide
CID 129369662
N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride
CID 119428022
N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199
2-[(4-propylpiperidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64815004
N-[(1S)-1-cyclohexylethyl]-4-propylpiperidine-4-carboxamide
CID 81385508
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-propylpiperidine-4-carboxamide
CID 83112493
N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55247011

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide (CID 63924517) is N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NC2CCCS(=O)(=O)C2)CCNCC1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide?
The InChIKey is ZFCISZVOADVFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-2-5-14(6-8-15-9-7-14)13(17)16-12-4-3-10-20(18,19)11-12/h12,15H,2-11H2,1H3,(H,16,17).
What are the key properties of N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide?
N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63924517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).