N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide

C11H21N3OS — CID 63626471

IUPACN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(CC(N)=S)CC1
InChIInChI=1S/C11H21N3OS/c1-8(2)11(15)13-9-3-5-14(6-4-9)7-10(12)16/h8-9H,3-7H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyVQDYOIZDANEGBI-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.51
Rot. Bonds4

About N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 63626471) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID63626471
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC NameN-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(CC(N)=S)CC1
InChIInChI=1S/C11H21N3OS/c1-8(2)11(15)13-9-3-5-14(6-4-9)7-10(12)16/h8-9H,3-7H2,1-2H3,(H2,12,16)(H,13,15)
InChIKeyVQDYOIZDANEGBI-UHFFFAOYSA-N
XLogP0.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602740
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 63626996
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 63626827
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-(3-methylphenyl)acetamide
CID 63626474
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-3-propoxypropanamide
CID 55247689
N-[(3R)-1-(cyanomethyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 156532471
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 63336297
2-[4-(methylsulfamoylamino)piperidin-1-yl]ethanethioamide
CID 114808399
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-4-iodobenzamide
CID 63627321
N-[1-(2-amino-2-hydroxyiminoethyl)piperidin-4-yl]-2-methylbutanamide
CID 77002434
2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide (CID 63626471) is N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(CC(N)=S)CC1.
What is the InChIKey of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is VQDYOIZDANEGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-8(2)11(15)13-9-3-5-14(6-4-9)7-10(12)16/h8-9H,3-7H2,1-2H3,(H2,12,16)(H,13,15).
What are the key properties of N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide?
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 243.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 63626471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).