CID 71501963

C11H16NO2S — CID 71501963

IUPAC—
SMILESCSCC[C@H](NC[C]1[CH][CH][CH][CH]1)C(=O)O
InChIInChI=1S/C11H16NO2S/c1-15-7-6-10(11(13)14)12-8-9-4-2-3-5-9/h2-5,10,12H,6-8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyIIRXWMQDWHWTTA-JTQLQIEISA-N
MW226.32 g/mol
LogP1.19
Rot. Bonds7

About CID 71501963

CID 71501963 (PubChem CID 71501963) has the molecular formula C11H16NO2S and a molecular weight of 226.32 g/mol.

Molecular Properties

Compound NameCID 71501963
PubChem CID71501963
Molecular FormulaC11H16NO2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name—
SMILESCSCC[C@H](NC[C]1[CH][CH][CH][CH]1)C(=O)O
InChIInChI=1S/C11H16NO2S/c1-15-7-6-10(11(13)14)12-8-9-4-2-3-5-9/h2-5,10,12H,6-8H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyIIRXWMQDWHWTTA-JTQLQIEISA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-2-(hydroxymethylamino)-4-methylsulfanylbutanoic acid;zinc
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CID 22811813
4-methylsulfanyl-2-(oxidoamino)butanoic acid
CID 22493019
(2S)-2-(methylamino)-4-methylsulfanylbutanoic acid
CID 6451891
(2S)-4-methylsulfanyl-2-[[2-(propan-2-ylamino)pyrimidin-5-yl]methylamino]butanoic acid
CID 95003313
2-[[2-(ethylamino)pyrimidin-5-yl]methylamino]-4-methylsulfanylbutanoic acid
CID 102536302
(2S)-4-methylsulfanyl-2-(methylsulfanylamino)butanoic acid
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2-(hydroxyamino)-4-methylsulfanylbutanoic acid;nickel
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Frequently Asked Questions

What is the IUPAC name of CID 71501963?
The IUPAC name of CID 71501963 (CID 71501963) is not available.
What is the SMILES notation for CID 71501963?
The canonical SMILES for CID 71501963 is CSCC[C@H](NC[C]1[CH][CH][CH][CH]1)C(=O)O.
What is the InChIKey of CID 71501963?
The InChIKey is IIRXWMQDWHWTTA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16NO2S/c1-15-7-6-10(11(13)14)12-8-9-4-2-3-5-9/h2-5,10,12H,6-8H2,1H3,(H,13,14)/t10-/m0/s1.
What are the key properties of CID 71501963?
CID 71501963 has a molecular weight of 226.32 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71501963 is sourced from PubChem (CID 71501963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).