N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide

C14H27N3OS — CID 63160655

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide
SMILESCCC1(C)CCN(CC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C14H27N3OS/c1-4-14(2)6-9-17(10-7-14)11-13(18)16(3)8-5-12(15)19/h4-11H2,1-3H3,(H2,15,19)
InChIKeyMFOPEWZSZUVMLD-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.63
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide (PubChem CID 63160655) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide
PubChem CID63160655
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide
SMILESCCC1(C)CCN(CC(=O)N(C)CCC(N)=S)CC1
InChIInChI=1S/C14H27N3OS/c1-4-14(2)6-9-17(10-7-14)11-13(18)16(3)8-5-12(15)19/h4-11H2,1-3H3,(H2,15,19)
InChIKeyMFOPEWZSZUVMLD-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide (CID 63160655) is N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide is CCC1(C)CCN(CC(=O)N(C)CCC(N)=S)CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide?
The InChIKey is MFOPEWZSZUVMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-4-14(2)6-9-17(10-7-14)11-13(18)16(3)8-5-12(15)19/h4-11H2,1-3H3,(H2,15,19).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide has a molecular weight of 285.46 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-(4-ethyl-4-methylpiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 63160655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).