N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide

C11H20N2OS — CID 103163665

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
SMILESCCN(CCC(N)=S)C(=O)CC1CCC1
InChIInChI=1S/C11H20N2OS/c1-2-13(7-6-10(12)15)11(14)8-9-4-3-5-9/h9H,2-8H2,1H3,(H2,12,15)
InChIKeyHAWCOLNLVVBHOU-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.70
Rot. Bonds6

About N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide (PubChem CID 103163665) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
PubChem CID103163665
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
SMILESCCN(CCC(N)=S)C(=O)CC1CCC1
InChIInChI=1S/C11H20N2OS/c1-2-13(7-6-10(12)15)11(14)8-9-4-3-5-9/h9H,2-8H2,1H3,(H2,12,15)
InChIKeyHAWCOLNLVVBHOU-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-cycloheptyl-N-(2-methylpropyl)acetamide
CID 114457887
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65155617
N-(2-amino-2-sulfanylideneethyl)-2-cyclobutyl-N-propylacetamide
CID 103163676
N-(3-amino-3-hydroxyiminopropyl)-2-cyclopropyl-N-ethylacetamide
CID 76910488
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methoxyethyl)-2-(thian-4-yl)acetamide
CID 83137721
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-methoxypropanamide
CID 62588562
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103163701
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N,N-diethylacetamide
CID 54997632
N-(3-amino-3-sulfanylidenepropyl)-N-ethyloxane-4-carboxamide
CID 62906035
2-cyclopentyl-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 86978195
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602684
N,N-dibutyl-2-cyclopentylacetamide
CID 13315634

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide (CID 103163665) is N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide is CCN(CCC(N)=S)C(=O)CC1CCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide?
The InChIKey is HAWCOLNLVVBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-2-13(7-6-10(12)15)11(14)8-9-4-3-5-9/h9H,2-8H2,1H3,(H2,12,15).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide has a molecular weight of 228.36 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide is sourced from PubChem (CID 103163665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).