N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide

C11H20N2O2S — CID 65155966

IUPACN-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide
SMILESCCCN(CC(N)=S)C(=O)CC1CCCO1
InChIInChI=1S/C11H20N2O2S/c1-2-5-13(8-10(12)16)11(14)7-9-4-3-6-15-9/h9H,2-8H2,1H3,(H2,12,16)
InChIKeyGCKHDCPCAJXPFX-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.08
Rot. Bonds6

About N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide

N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide (PubChem CID 65155966) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide
PubChem CID65155966
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide
SMILESCCCN(CC(N)=S)C(=O)CC1CCCO1
InChIInChI=1S/C11H20N2O2S/c1-2-5-13(8-10(12)16)11(14)7-9-4-3-6-15-9/h9H,2-8H2,1H3,(H2,12,16)
InChIKeyGCKHDCPCAJXPFX-UHFFFAOYSA-N
XLogP1.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65155617
N-(2-amino-2-sulfanylideneethyl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 65155863
N-butyl-N-(2-chloroethyl)-2-(oxolan-2-yl)acetamide
CID 65159288
2-[oxolan-2-ylmethylsulfonyl(propyl)amino]ethanethioamide
CID 55173354
2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628324
2-[ethyl-[2-(oxolan-2-yl)ethyl]amino]ethanethioamide
CID 65161112
2-[(2S)-oxolan-2-yl]acetamide
CID 89422838
methyl 2-[(2-morpholin-2-ylacetyl)-propylamino]acetate
CID 66429555
N-(3-amino-3-sulfanylidenepropyl)-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 82103958
N-(1-aminopropan-2-yl)-N-methyl-2-(oxolan-2-yl)acetamide;hydrochloride
CID 119260859
ethyl 2-[2-(oxolan-2-yl)ethyl-propylamino]acetate
CID 65166216
[[2-(oxolan-2-yl)acetyl]amino]thiourea
CID 65214510

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide (CID 65155966) is N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide is CCCN(CC(N)=S)C(=O)CC1CCCO1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide?
The InChIKey is GCKHDCPCAJXPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-2-5-13(8-10(12)16)11(14)7-9-4-3-6-15-9/h9H,2-8H2,1H3,(H2,12,16).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide?
N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide has a molecular weight of 244.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-(oxolan-2-yl)-N-propylacetamide is sourced from PubChem (CID 65155966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).