N-(1-oxothian-4-yl)piperidine-1-carboxamide

C11H20N2O2S — CID 104594568

IUPACN-(1-oxothian-4-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCS(=O)CC1)N1CCCCC1
InChIInChI=1S/C11H20N2O2S/c14-11(13-6-2-1-3-7-13)12-10-4-8-16(15)9-5-10/h10H,1-9H2,(H,12,14)
InChIKeyIVPFXUMIPHISFJ-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.09
Rot. Bonds1

About N-(1-oxothian-4-yl)piperidine-1-carboxamide

N-(1-oxothian-4-yl)piperidine-1-carboxamide (PubChem CID 104594568) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(1-oxothian-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-oxothian-4-yl)piperidine-1-carboxamide
PubChem CID104594568
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(1-oxothian-4-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCS(=O)CC1)N1CCCCC1
InChIInChI=1S/C11H20N2O2S/c14-11(13-6-2-1-3-7-13)12-10-4-8-16(15)9-5-10/h10H,1-9H2,(H,12,14)
InChIKeyIVPFXUMIPHISFJ-UHFFFAOYSA-N
XLogP1.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-oxothiolan-3-yl)azetidine-1-carboxamide
CID 130943842
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-[4-(methylamino)cyclohexyl]azepane-1-carboxamide
CID 79152452
N-[4-(methylamino)cyclohexyl]piperidine-1-carboxamide
CID 79156160
N-(4-aminocyclohexyl)azepane-1-carboxamide
CID 79152451
N-(4-oxocyclohexyl)piperidine-1-carboxamide
CID 79155633
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
N-(1-iodopiperidin-4-yl)pyrrolidine-1-carboxamide
CID 142009370
N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
1-cyclohexyl-3-(1-oxothian-4-yl)urea
CID 116657894
N-(4-oxocyclohexyl)pyrrolidine-1-carboxamide
CID 79161033
N-pyrrolidin-3-ylazepane-1-carboxamide
CID 79151743

Frequently Asked Questions

What is the IUPAC name of N-(1-oxothian-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-oxothian-4-yl)piperidine-1-carboxamide (CID 104594568) is N-(1-oxothian-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-oxothian-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-oxothian-4-yl)piperidine-1-carboxamide is O=C(NC1CCS(=O)CC1)N1CCCCC1.
What is the InChIKey of N-(1-oxothian-4-yl)piperidine-1-carboxamide?
The InChIKey is IVPFXUMIPHISFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c14-11(13-6-2-1-3-7-13)12-10-4-8-16(15)9-5-10/h10H,1-9H2,(H,12,14).
What are the key properties of N-(1-oxothian-4-yl)piperidine-1-carboxamide?
N-(1-oxothian-4-yl)piperidine-1-carboxamide has a molecular weight of 244.36 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxothian-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 104594568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).