N-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide

C12H23N3O2S — CID 43290419

IUPACN-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide
SMILESCN(CCC(N)=S)C(=O)CCN1CCC(O)CC1
InChIInChI=1S/C12H23N3O2S/c1-14(6-4-11(13)18)12(17)5-9-15-7-2-10(16)3-8-15/h10,16H,2-9H2,1H3,(H2,13,18)
InChIKeyLCRHXYJQKMAJRP-UHFFFAOYSA-N
MW273.40 g/mol
LogP-0.03
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide

N-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide (PubChem CID 43290419) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide
PubChem CID43290419
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide
SMILESCN(CCC(N)=S)C(=O)CCN1CCC(O)CC1
InChIInChI=1S/C12H23N3O2S/c1-14(6-4-11(13)18)12(17)5-9-15-7-2-10(16)3-8-15/h10,16H,2-9H2,1H3,(H2,13,18)
InChIKeyLCRHXYJQKMAJRP-UHFFFAOYSA-N
XLogP-0.03
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide (CID 43290419) is N-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide is CN(CCC(N)=S)C(=O)CCN1CCC(O)CC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide?
The InChIKey is LCRHXYJQKMAJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-14(6-4-11(13)18)12(17)5-9-15-7-2-10(16)3-8-15/h10,16H,2-9H2,1H3,(H2,13,18).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide?
N-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide has a molecular weight of 273.40 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-3-(4-hydroxypiperidin-1-yl)-N-methylpropanamide is sourced from PubChem (CID 43290419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).