2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide

C8H18N2O2S — CID 81186497

IUPAC2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)CCCN
InChIInChI=1S/C8H18N2O2S/c1-7(8(11)10(2)3)13(12)6-4-5-9/h7H,4-6,9H2,1-3H3
InChIKeyOKAVIFVBFBBRKD-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.44
Rot. Bonds5

About 2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide

2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide (PubChem CID 81186497) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide
PubChem CID81186497
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)CCCN
InChIInChI=1S/C8H18N2O2S/c1-7(8(11)10(2)3)13(12)6-4-5-9/h7H,4-6,9H2,1-3H3
InChIKeyOKAVIFVBFBBRKD-UHFFFAOYSA-N
XLogP-0.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bis[2-(n-butyrylamino)ethyl]sulfoxide
CID 13624920
N-ethyl-3-[3-(ethylamino)-3-oxopropyl]sulfanylpropanamide
CID 5058591
3-[3-(Dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 23451991
N-methyl-3-methylsulfinylpropanamide
CID 54145618
N-[3-(2-aminoethylsulfanyl)propyl]-N-methylacetamide
CID 59843726
CID 59866887
CID 59866887
CID 59866892
CID 59866892
CID 59866894
CID 59866894
CID 59866902
CID 59866902
CID 59866903
CID 59866903
CID 59866904
CID 59866904
CID 59866911
CID 59866911

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide (CID 81186497) is 2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)S(=O)CCCN.
What is the InChIKey of 2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide?
The InChIKey is OKAVIFVBFBBRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(8(11)10(2)3)13(12)6-4-5-9/h7H,4-6,9H2,1-3H3.
What are the key properties of 2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide?
2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide has a molecular weight of 206.31 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylsulfinyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 81186497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).