1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine

C5H13NO2S2 — CID 174505461

IUPAC1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine
SMILESCC(CS(=O)(O)=S)N(C)C
InChIInChI=1S/C5H13NO2S2/c1-5(6(2)3)4-10(7,8)9/h5H,4H2,1-3H3,(H,7,8,9)
InChIKeyLMOJTVSMWGOQQY-UHFFFAOYSA-N
MW183.30 g/mol
LogP0.16
Rot. Bonds3

About 1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine

1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine (PubChem CID 174505461) has the molecular formula C5H13NO2S2 and a molecular weight of 183.30 g/mol. Its IUPAC name is 1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine.

Molecular Properties

Compound Name1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine
PubChem CID174505461
Molecular FormulaC5H13NO2S2
Molecular Weight183.30 g/mol
Exact Mass183.04
IUPAC Name1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine
SMILESCC(CS(=O)(O)=S)N(C)C
InChIInChI=1S/C5H13NO2S2/c1-5(6(2)3)4-10(7,8)9/h5H,4H2,1-3H3,(H,7,8,9)
InChIKeyLMOJTVSMWGOQQY-UHFFFAOYSA-N
XLogP0.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine?
The IUPAC name of 1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine (CID 174505461) is 1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine.
What is the SMILES notation for 1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine?
The canonical SMILES for 1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine is CC(CS(=O)(O)=S)N(C)C.
What is the InChIKey of 1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine?
The InChIKey is LMOJTVSMWGOQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S2/c1-5(6(2)3)4-10(7,8)9/h5H,4H2,1-3H3,(H,7,8,9).
What are the key properties of 1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine?
1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine has a molecular weight of 183.30 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxysulfonothioyl-N,N-dimethylpropan-2-amine is sourced from PubChem (CID 174505461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).