3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide

C9H20N2O3S2 — CID 66224515

IUPAC3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide
SMILESCC(CN)CSCCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C9H20N2O3S2/c1-8(6-10)7-15-3-5-16(13,14)4-2-9(11)12/h8H,2-7,10H2,1H3,(H2,11,12)
InChIKeyHZCJIQWOFNYVNE-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.40
Rot. Bonds9

About 3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide

3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide (PubChem CID 66224515) has the molecular formula C9H20N2O3S2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide
PubChem CID66224515
Molecular FormulaC9H20N2O3S2
Molecular Weight268.40 g/mol
Exact Mass268.09
IUPAC Name3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide
SMILESCC(CN)CSCCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C9H20N2O3S2/c1-8(6-10)7-15-3-5-16(13,14)4-2-9(11)12/h8H,2-7,10H2,1H3,(H2,11,12)
InChIKeyHZCJIQWOFNYVNE-UHFFFAOYSA-N
XLogP-0.40
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(Butylsulfonyl)-2-methylpropionamide
CID 3031099
2-Methylpropanamide;thiolane 1,1-dioxide
CID 21488850
3-(3-Methylbutylsulfonyl)propanamide;hydrochloride
CID 57487204
3-(3-Methylbutylsulfonyl)propanamide
CID 57487205
N-(3-tert-butylsulfanylpropylsulfonyl)acetamide
CID 59176738
2-(3-Methylbutylsulfonyl)propanamide;hydrochloride
CID 87514095
2-(3-Methylbutylsulfonyl)propanamide
CID 87514096
2-[(2S)-butan-2-yl]sulfonyl-2-methylpropanamide
CID 88900113
2-Methyl-2-(2-methylpropylsulfonyl)propanamide
CID 89392965
2-Methyl-2-(3-methylbutylsulfonyl)propanamide
CID 89392976
1-Butylsulfinylbutane;2-methylpropanamide
CID 135307330
3-Amino-3-(2-methylpropylsulfonyl)propanamide
CID 151257043

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide?
The IUPAC name of 3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide (CID 66224515) is 3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide is CC(CN)CSCCS(=O)(=O)CCC(N)=O.
What is the InChIKey of 3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide?
The InChIKey is HZCJIQWOFNYVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S2/c1-8(6-10)7-15-3-5-16(13,14)4-2-9(11)12/h8H,2-7,10H2,1H3,(H2,11,12).
What are the key properties of 3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide?
3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide has a molecular weight of 268.40 g/mol, XLogP of -0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-amino-2-methylpropyl)sulfanylethylsulfonyl]propanamide is sourced from PubChem (CID 66224515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).