CID 175004048

C5H12N2O4S2 — CID 175004048

IUPAC—
SMILESCSCCC(N)C(=O)O.N=S(=O)=O
InChIInChI=1S/C5H11NO2S.HNO2S/c1-9-3-2-4(6)5(7)8;1-4(2)3/h4H,2-3,6H2,1H3,(H,7,8);1H
InChIKeyZQHBECBSALFUJK-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.22
Rot. Bonds4

About CID 175004048

CID 175004048 (PubChem CID 175004048) has the molecular formula C5H12N2O4S2 and a molecular weight of 228.29 g/mol.

Molecular Properties

Compound NameCID 175004048
PubChem CID175004048
Molecular FormulaC5H12N2O4S2
Molecular Weight228.29 g/mol
Exact Mass228.02
IUPAC Name—
SMILESCSCCC(N)C(=O)O.N=S(=O)=O
InChIInChI=1S/C5H11NO2S.HNO2S/c1-9-3-2-4(6)5(7)8;1-4(2)3/h4H,2-3,6H2,1H3,(H,7,8);1H
InChIKeyZQHBECBSALFUJK-UHFFFAOYSA-N
XLogP-0.22
TPSA121.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
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(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
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(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
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2-amino-4-methylsulfanylbutanoic acid
CID 876
(2S)-2-amino-4-methylsulfanylbutanoic acid;guanidine
CID 157213909
CID 173007920
CID 173007920
(2S)-2-amino-4-methylsulfanylbutanoic acid;molybdenum
CID 174796438
(2S)-2-amino-4-methylsulfanylbutanoic acid;copper
CID 87289409
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);zinc
CID 132989209
2-amino-4-methylsulfanylbutanoic acid;sulfuric acid
CID 18780207
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008

Frequently Asked Questions

What is the IUPAC name of CID 175004048?
The IUPAC name of CID 175004048 (CID 175004048) is not available.
What is the SMILES notation for CID 175004048?
The canonical SMILES for CID 175004048 is CSCCC(N)C(=O)O.N=S(=O)=O.
What is the InChIKey of CID 175004048?
The InChIKey is ZQHBECBSALFUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.HNO2S/c1-9-3-2-4(6)5(7)8;1-4(2)3/h4H,2-3,6H2,1H3,(H,7,8);1H.
What are the key properties of CID 175004048?
CID 175004048 has a molecular weight of 228.29 g/mol, XLogP of -0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175004048 is sourced from PubChem (CID 175004048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).