N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide

C12H22N2O2S — CID 106201796

IUPACN-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide
SMILESCN(CCC(N)=S)C(=O)COCCC1CCC1
InChIInChI=1S/C12H22N2O2S/c1-14(7-5-11(13)17)12(15)9-16-8-6-10-3-2-4-10/h10H,2-9H2,1H3,(H2,13,17)
InChIKeyPKALTONQKTYTTF-UHFFFAOYSA-N
MW258.39 g/mol
LogP1.33
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide

N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide (PubChem CID 106201796) has the molecular formula C12H22N2O2S and a molecular weight of 258.39 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide
PubChem CID106201796
Molecular FormulaC12H22N2O2S
Molecular Weight258.39 g/mol
Exact Mass258.14
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide
SMILESCN(CCC(N)=S)C(=O)COCCC1CCC1
InChIInChI=1S/C12H22N2O2S/c1-14(7-5-11(13)17)12(15)9-16-8-6-10-3-2-4-10/h10H,2-9H2,1H3,(H2,13,17)
InChIKeyPKALTONQKTYTTF-UHFFFAOYSA-N
XLogP1.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-ethoxy-N-methylacetamide
CID 28780497
2-(2-aminoethoxy)-N-(cyclobutylmethyl)-N-methylacetamide
CID 79479227
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545536
N-(3-amino-3-sulfanylidenepropyl)-2-[bis(2-ethoxyethyl)amino]-N-methylacetamide
CID 82961286
N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide
CID 63956602
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(2-methylcyclohexyl)oxypropanamide
CID 43291123
N-(3-amino-3-sulfanylidenepropyl)-3-[3-(2-methoxyethoxy)propoxy]-N-methylpropanamide
CID 103402594
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide
CID 63712907
1-(3-amino-3-sulfanylidenepropyl)-3-cyclobutyl-1-methylurea
CID 116658284
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide
CID 61288394
methyl 2-(2-cyclobutylethoxy)acetate
CID 106199331
N-(3-amino-3-sulfanylidenepropyl)-2-cyclobutyl-N-ethylacetamide
CID 103163665

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide (CID 106201796) is N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide is CN(CCC(N)=S)C(=O)COCCC1CCC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide?
The InChIKey is PKALTONQKTYTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2S/c1-14(7-5-11(13)17)12(15)9-16-8-6-10-3-2-4-10/h10H,2-9H2,1H3,(H2,13,17).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide?
N-(3-amino-3-sulfanylidenepropyl)-2-(2-cyclobutylethoxy)-N-methylacetamide has a molecular weight of 258.39 g/mol, XLogP of 1.33, 8 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-(2-cyclobutylethoxy)-N-methylacetamide is sourced from PubChem (CID 106201796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).