2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide

C10H22N2O2S — CID 81175017

IUPAC2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)S(=O)CCN
InChIInChI=1S/C10H22N2O2S/c1-4-9(5-2)12-10(13)8(3)15(14)7-6-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyURVDPIXSBREEOO-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.39
Rot. Bonds7

About 2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide

2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide (PubChem CID 81175017) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is 2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide
PubChem CID81175017
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)S(=O)CCN
InChIInChI=1S/C10H22N2O2S/c1-4-9(5-2)12-10(13)8(3)15(14)7-6-11/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyURVDPIXSBREEOO-UHFFFAOYSA-N
XLogP0.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethylsulfinyl)-N-propylpropanamide
CID 81175883
2-(2-aminoethylsulfinyl)-N-pentan-3-ylacetamide
CID 81175881
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
2-methyl-2-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]sulfinylpropanoic acid
CID 81230672
2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
CID 62275033
3-amino-N-(1-hydroxybutan-2-yl)-2-methylpropanamide
CID 62668866
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]sulfinylbenzoic acid
CID 60982613
2-(3-amino-2-methylpropyl)sulfanyl-N-pentan-3-ylpropanamide
CID 66226979
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]-3-methylpentanamide
CID 107222401
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
CID 107494530
3-[1-oxo-1-(pentylamino)propan-2-yl]sulfinylpropanoic acid
CID 60981905
methyl N-(1-aminopentan-3-yl)carbamate
CID 62651614

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide?
The IUPAC name of 2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide (CID 81175017) is 2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)S(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide?
The InChIKey is URVDPIXSBREEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-4-9(5-2)12-10(13)8(3)15(14)7-6-11/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide?
2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide has a molecular weight of 234.36 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfinyl)-N-pentan-3-ylpropanamide is sourced from PubChem (CID 81175017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).