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

C14H26N2O3S — CID 63130418

IUPACN-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NC2CCS(=O)(=O)CC2)CCCNC1
InChIInChI=1S/C14H26N2O3S/c1-2-6-14(7-3-8-15-11-14)13(17)16-12-4-9-20(18,19)10-5-12/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyCUDLGPRRTULKPI-UHFFFAOYSA-N
MW302.44 g/mol
LogP0.85
Rot. Bonds4

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

N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide (PubChem CID 63130418) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide
PubChem CID63130418
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NC2CCS(=O)(=O)CC2)CCCNC1
InChIInChI=1S/C14H26N2O3S/c1-2-6-14(7-3-8-15-11-14)13(17)16-12-4-9-20(18,19)10-5-12/h12,15H,2-11H2,1H3,(H,16,17)
InChIKeyCUDLGPRRTULKPI-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
2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64813514
1-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 82763836
N-(1,1-dioxothian-3-yl)-4-propylpiperidine-4-carboxamide
CID 63924517
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpiperidin-3-yl)methanone
CID 55164111
N-piperidin-3-yl-1-propylcyclopropane-1-carboxamide;hydrochloride
CID 119428022
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
N-(6-oxopiperidin-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 55247011
3-ethyl-N-(1-methylpiperidin-3-yl)piperidine-3-carboxamide
CID 63135196
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide (CID 63130418) is N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NC2CCS(=O)(=O)CC2)CCCNC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide?
The InChIKey is CUDLGPRRTULKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-2-6-14(7-3-8-15-11-14)13(17)16-12-4-9-20(18,19)10-5-12/h12,15H,2-11H2,1H3,(H,16,17).
What are the key properties of N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-carboxamide?
N-(1,1-dioxothian-4-yl)-3-propylpiperidine-3-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-4-yl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63130418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).