3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid

C9H18N2O4S2 — CID 114814506

IUPAC3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid
SMILESCC(C)CNS(=O)(=O)NC1(C(=O)O)CCSC1
InChIInChI=1S/C9H18N2O4S2/c1-7(2)5-10-17(14,15)11-9(8(12)13)3-4-16-6-9/h7,10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyLXRSJVLSPIVIGV-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.03
Rot. Bonds6

About 3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid

3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid (PubChem CID 114814506) has the molecular formula C9H18N2O4S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid
PubChem CID114814506
Molecular FormulaC9H18N2O4S2
Molecular Weight282.39 g/mol
Exact Mass282.07
IUPAC Name3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid
SMILESCC(C)CNS(=O)(=O)NC1(C(=O)O)CCSC1
InChIInChI=1S/C9H18N2O4S2/c1-7(2)5-10-17(14,15)11-9(8(12)13)3-4-16-6-9/h7,10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyLXRSJVLSPIVIGV-UHFFFAOYSA-N
XLogP0.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(tert-butylsulfonylamino)thiolane-3-carboxylic acid
CID 63687303
3-[(3-methoxy-2-methylpropyl)amino]thiolane-3-carboxylic acid
CID 114993797
3-[2-(dimethylamino)propylamino]thiolane-3-carboxylic acid
CID 115000658
3-(2-methoxypropanoylamino)thiolane-3-carboxylic acid
CID 115910263
1-(propan-2-ylsulfamoylamino)cyclopropane-1-carboxylic acid
CID 114806428
4-ethyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carbothioamide
CID 114815218
3-(propan-2-ylamino)thiane-3-carboxylic acid
CID 62871063
1-(aminomethyl)-N-(2-methylpropylsulfamoyl)cyclobutan-1-amine
CID 114816801
4-methyl-1-(2-methylpropylsulfamoylamino)cyclohexane-1-carboximidamide
CID 114816893
2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814504
3-(2-methoxyethylamino)thiolane-3-carboxylic acid
CID 61341762
1-(2-methylpropylsulfamoylamino)cyclopentane-1-carbonitrile
CID 114815070

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid?
The IUPAC name of 3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid (CID 114814506) is 3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid?
The canonical SMILES for 3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid is CC(C)CNS(=O)(=O)NC1(C(=O)O)CCSC1.
What is the InChIKey of 3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid?
The InChIKey is LXRSJVLSPIVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S2/c1-7(2)5-10-17(14,15)11-9(8(12)13)3-4-16-6-9/h7,10-11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid?
3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid has a molecular weight of 282.39 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfamoylamino)thiolane-3-carboxylic acid is sourced from PubChem (CID 114814506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).