N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide

C15H28N2OS — CID 42567206

IUPACN-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C15H28N2OS/c1-19-12-15(18)16-13-7-6-10-17(11-13)14-8-4-2-3-5-9-14/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyIVDMQOPPHOTIDM-CYBMUJFWSA-N
MW284.47 g/mol
LogP2.65
Rot. Bonds4

About N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide

N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide (PubChem CID 42567206) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
PubChem CID42567206
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC NameN-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
SMILESCSCC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1
InChIInChI=1S/C15H28N2OS/c1-19-12-15(18)16-13-7-6-10-17(11-13)14-8-4-2-3-5-9-14/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyIVDMQOPPHOTIDM-CYBMUJFWSA-N
XLogP2.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide (CID 42567206) is N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide is CSCC(=O)N[C@@H]1CCCN(C2CCCCCC2)C1.
What is the InChIKey of N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide?
The InChIKey is IVDMQOPPHOTIDM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-19-12-15(18)16-13-7-6-10-17(11-13)14-8-4-2-3-5-9-14/h13-14H,2-12H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide?
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide has a molecular weight of 284.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide is sourced from PubChem (CID 42567206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).