2-(2-aminoethylsulfinyl)-N-propylpropanamide

C8H18N2O2S — CID 81175883

IUPAC2-(2-aminoethylsulfinyl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)S(=O)CCN
InChIInChI=1S/C8H18N2O2S/c1-3-5-10-8(11)7(2)13(12)6-4-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyKNRURAMGFGOWCK-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.39
Rot. Bonds6

About 2-(2-aminoethylsulfinyl)-N-propylpropanamide

2-(2-aminoethylsulfinyl)-N-propylpropanamide (PubChem CID 81175883) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(2-aminoethylsulfinyl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfinyl)-N-propylpropanamide
PubChem CID81175883
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name2-(2-aminoethylsulfinyl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)S(=O)CCN
InChIInChI=1S/C8H18N2O2S/c1-3-5-10-8(11)7(2)13(12)6-4-9/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyKNRURAMGFGOWCK-UHFFFAOYSA-N
XLogP-0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide
CID 81175017
3-[1-oxo-1-(pentylamino)propan-2-yl]sulfinylpropanoic acid
CID 60981905
2-amino-3-methyl-N-propylbutanamide;ethane
CID 143224871
2-amino-N-propylpropanamide;ethane
CID 142837247
2-methylsulfanyl-N-propylpropanamide
CID 131085433
(2S)-2-[(2-aminoacetyl)amino]-3-methyl-N-propylbutanamide
CID 141214116
N-(2-aminoethyl)-2,3,4,5-tetrahydroxy-N'-propylhexanediamide
CID 91190770
2-iodo-N-propylpropanamide
CID 64787589
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
CID 61349368
propane;2,3,3-trimethyl-N-propylbutanamide
CID 143577775
3,4-dimethyl-N-propylpentanamide
CID 89425193
ethane;(2S)-2,3,3-trimethyl-N-propylbutanamide
CID 143641888

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfinyl)-N-propylpropanamide?
The IUPAC name of 2-(2-aminoethylsulfinyl)-N-propylpropanamide (CID 81175883) is 2-(2-aminoethylsulfinyl)-N-propylpropanamide.
What is the SMILES notation for 2-(2-aminoethylsulfinyl)-N-propylpropanamide?
The canonical SMILES for 2-(2-aminoethylsulfinyl)-N-propylpropanamide is CCCNC(=O)C(C)S(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfinyl)-N-propylpropanamide?
The InChIKey is KNRURAMGFGOWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-3-5-10-8(11)7(2)13(12)6-4-9/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 2-(2-aminoethylsulfinyl)-N-propylpropanamide?
2-(2-aminoethylsulfinyl)-N-propylpropanamide has a molecular weight of 206.31 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfinyl)-N-propylpropanamide is sourced from PubChem (CID 81175883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).