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

C11H20N2OS — CID 115600276

IUPACN-(thian-4-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCSCC1)N1CCCCC1
InChIInChI=1S/C11H20N2OS/c14-11(13-6-2-1-3-7-13)12-10-4-8-15-9-5-10/h10H,1-9H2,(H,12,14)
InChIKeyPRFBYCOLDZPQAE-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.08
Rot. Bonds1

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

N-(thian-4-yl)piperidine-1-carboxamide (PubChem CID 115600276) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-(thian-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(thian-4-yl)piperidine-1-carboxamide
PubChem CID115600276
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-(thian-4-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCSCC1)N1CCCCC1
InChIInChI=1S/C11H20N2OS/c14-11(13-6-2-1-3-7-13)12-10-4-8-15-9-5-10/h10H,1-9H2,(H,12,14)
InChIKeyPRFBYCOLDZPQAE-UHFFFAOYSA-N
XLogP2.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(thian-4-yl)piperidine-1-carboxamide?
The IUPAC name of N-(thian-4-yl)piperidine-1-carboxamide (CID 115600276) is N-(thian-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(thian-4-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(thian-4-yl)piperidine-1-carboxamide is O=C(NC1CCSCC1)N1CCCCC1.
What is the InChIKey of N-(thian-4-yl)piperidine-1-carboxamide?
The InChIKey is PRFBYCOLDZPQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c14-11(13-6-2-1-3-7-13)12-10-4-8-15-9-5-10/h10H,1-9H2,(H,12,14).
What are the key properties of N-(thian-4-yl)piperidine-1-carboxamide?
N-(thian-4-yl)piperidine-1-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thian-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 115600276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).