N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide

C14H28N2OS — CID 112659398

IUPACN,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide
SMILESCSCC(C)N(C)C(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C14H28N2OS/c1-11(10-18-5)16(4)13(17)14(2,3)12-7-6-8-15-9-12/h11-12,15H,6-10H2,1-5H3
InChIKeyGCQUDQWFYRCLOS-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.22
Rot. Bonds5

About N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide

N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide (PubChem CID 112659398) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide
PubChem CID112659398
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide
SMILESCSCC(C)N(C)C(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C14H28N2OS/c1-11(10-18-5)16(4)13(17)14(2,3)12-7-6-8-15-9-12/h11-12,15H,6-10H2,1-5H3
InChIKeyGCQUDQWFYRCLOS-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide?
The IUPAC name of N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide (CID 112659398) is N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide.
What is the SMILES notation for N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide?
The canonical SMILES for N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide is CSCC(C)N(C)C(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide?
The InChIKey is GCQUDQWFYRCLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-11(10-18-5)16(4)13(17)14(2,3)12-7-6-8-15-9-12/h11-12,15H,6-10H2,1-5H3.
What are the key properties of N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide?
N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide has a molecular weight of 272.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-methylsulfanylpropan-2-yl)-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 112659398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).