2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide

C13H27N3OS — CID 115740438

IUPAC2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
SMILESCSCCC(C)N(C)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H27N3OS/c1-11(6-9-18-3)15(2)13(17)10-16-7-4-12(14)5-8-16/h11-12H,4-10,14H2,1-3H3
InChIKeyVTSCMXDKZLDVNS-UHFFFAOYSA-N
MW273.45 g/mol
LogP1.01
Rot. Bonds6

About 2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide

2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide (PubChem CID 115740438) has the molecular formula C13H27N3OS and a molecular weight of 273.45 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
PubChem CID115740438
Molecular FormulaC13H27N3OS
Molecular Weight273.45 g/mol
Exact Mass273.19
IUPAC Name2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide
SMILESCSCCC(C)N(C)C(=O)CN1CCC(N)CC1
InChIInChI=1S/C13H27N3OS/c1-11(6-9-18-3)15(2)13(17)10-16-7-4-12(14)5-8-16/h11-12H,4-10,14H2,1-3H3
InChIKeyVTSCMXDKZLDVNS-UHFFFAOYSA-N
XLogP1.01
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide (CID 115740438) is 2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide is CSCCC(C)N(C)C(=O)CN1CCC(N)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide?
The InChIKey is VTSCMXDKZLDVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3OS/c1-11(6-9-18-3)15(2)13(17)10-16-7-4-12(14)5-8-16/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide?
2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide has a molecular weight of 273.45 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-methyl-N-(4-methylsulfanylbutan-2-yl)acetamide is sourced from PubChem (CID 115740438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).