N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide

C13H26N2OS — CID 113269218

IUPACN,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
SMILESCSCCC(C)N(C)C(=O)C1(C)CCCNC1
InChIInChI=1S/C13H26N2OS/c1-11(6-9-17-4)15(3)12(16)13(2)7-5-8-14-10-13/h11,14H,5-10H2,1-4H3
InChIKeySQDPGIFIPRBAOH-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.98
Rot. Bonds5

About N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide

N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide (PubChem CID 113269218) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
PubChem CID113269218
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
SMILESCSCCC(C)N(C)C(=O)C1(C)CCCNC1
InChIInChI=1S/C13H26N2OS/c1-11(6-9-17-4)15(3)12(16)13(2)7-5-8-14-10-13/h11,14H,5-10H2,1-4H3
InChIKeySQDPGIFIPRBAOH-UHFFFAOYSA-N
XLogP1.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide (CID 113269218) is N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide is CSCCC(C)N(C)C(=O)C1(C)CCCNC1.
What is the InChIKey of N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide?
The InChIKey is SQDPGIFIPRBAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-11(6-9-17-4)15(3)12(16)13(2)7-5-8-14-10-13/h11,14H,5-10H2,1-4H3.
What are the key properties of N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide?
N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide has a molecular weight of 258.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 113269218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).