2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide

C10H20N2O2S — CID 81187098

IUPAC2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CS(=O)CCCN)C1CC1
InChIInChI=1S/C10H20N2O2S/c1-2-12(9-4-5-9)10(13)8-15(14)7-3-6-11/h9H,2-8,11H2,1H3
InChIKeySIUBAMGDOHFQMH-UHFFFAOYSA-N
MW232.35 g/mol
LogP0.09
Rot. Bonds7

About 2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide

2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide (PubChem CID 81187098) has the molecular formula C10H20N2O2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide
PubChem CID81187098
Molecular FormulaC10H20N2O2S
Molecular Weight232.35 g/mol
Exact Mass232.12
IUPAC Name2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)CS(=O)CCCN)C1CC1
InChIInChI=1S/C10H20N2O2S/c1-2-12(9-4-5-9)10(13)8-15(14)7-3-6-11/h9H,2-8,11H2,1H3
InChIKeySIUBAMGDOHFQMH-UHFFFAOYSA-N
XLogP0.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide
CID 66219814
2-(2-aminoethylsulfinyl)-N,N-diethylacetamide
CID 81174658
3-amino-N-cyclohexyl-N-ethylpropanamide
CID 16786481
2-[2-aminoethyl(butyl)amino]-N-cyclopropyl-N-ethylacetamide
CID 55241234
2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropyl-N-ethylacetamide
CID 61488181
1-(3-aminopropyl)-1-cyclopropyl-3,3-diethylurea
CID 79154786
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 55243372
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
3-(aminomethyl)-N-cyclopropyl-N-ethylpentanamide
CID 81070792
2-(1-amino-2-methylpropan-2-yl)oxy-N-cyclopropyl-N-ethylacetamide
CID 65053276
N-(3-aminopropyl)-N-cyclopropyloctanamide
CID 43136708
2-(2-aminoethoxy)-N-cyclopentyl-N-ethylacetamide
CID 79473978

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide (CID 81187098) is 2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)CS(=O)CCCN)C1CC1.
What is the InChIKey of 2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide?
The InChIKey is SIUBAMGDOHFQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2S/c1-2-12(9-4-5-9)10(13)8-15(14)7-3-6-11/h9H,2-8,11H2,1H3.
What are the key properties of 2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide?
2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide has a molecular weight of 232.35 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfinyl)-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 81187098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).