N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide

C11H20N2OS2 — CID 115734269

IUPACN-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CSCCS1)C1CCCNC1
InChIInChI=1S/C11H20N2OS2/c14-11(9-2-1-3-12-6-9)13-7-10-8-15-4-5-16-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyXKGMTFGRFWARKQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP0.95
Rot. Bonds3

About N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide

N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 115734269) has the molecular formula C11H20N2OS2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide
PubChem CID115734269
Molecular FormulaC11H20N2OS2
Molecular Weight260.43 g/mol
Exact Mass260.10
IUPAC NameN-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CSCCS1)C1CCCNC1
InChIInChI=1S/C11H20N2OS2/c14-11(9-2-1-3-12-6-9)13-7-10-8-15-4-5-16-10/h9-10,12H,1-8H2,(H,13,14)
InChIKeyXKGMTFGRFWARKQ-UHFFFAOYSA-N
XLogP0.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(thiolan-2-ylmethyl)piperidine-3-carboxamide
CID 81135090
(2R)-N-(1,4-dithian-2-ylmethyl)pyrrolidine-2-carboxamide
CID 103797025
N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 43371173
(3S)-N-(cyclopentylmethyl)piperidine-3-carboxamide
CID 81123262
N-(1,4-dithian-2-ylmethyl)azepane-2-carboxamide
CID 113489395
2-(1,4-dithian-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120976194
N-[(2-methylcyclopropyl)methyl]piperidine-3-carboxamide
CID 115733792
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 53410772
(3S)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 81141151
(3R)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 81123197

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide (CID 115734269) is N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide is O=C(NCC1CSCCS1)C1CCCNC1.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is XKGMTFGRFWARKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS2/c14-11(9-2-1-3-12-6-9)13-7-10-8-15-4-5-16-10/h9-10,12H,1-8H2,(H,13,14).
What are the key properties of N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide?
N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 260.43 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 115734269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).