(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid

C8H18N2O4S — CID 104977826

IUPAC(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
SMILESCCCNS(=O)(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C8H18N2O4S/c1-4-5-9-15(13,14)10-7(6(2)3)8(11)12/h6-7,9-10H,4-5H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKeyDKAPWNZUVHZSEY-ZETCQYMHSA-N
MW238.31 g/mol
LogP-0.07
Rot. Bonds7

About (2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid

(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid (PubChem CID 104977826) has the molecular formula C8H18N2O4S and a molecular weight of 238.31 g/mol. Its IUPAC name is (2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
PubChem CID104977826
Molecular FormulaC8H18N2O4S
Molecular Weight238.31 g/mol
Exact Mass238.10
IUPAC Name(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
SMILESCCCNS(=O)(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C8H18N2O4S/c1-4-5-9-15(13,14)10-7(6(2)3)8(11)12/h6-7,9-10H,4-5H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKeyDKAPWNZUVHZSEY-ZETCQYMHSA-N
XLogP-0.07
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 104977827
(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
CID 104977912
(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid
CID 104977951
4-methyl-3-(propylsulfamoylamino)pentan-1-ol
CID 106353409
(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid
CID 104978587
2-cyclohexyl-2-(propylsulfamoylamino)acetic acid
CID 114805745
2-[(propylsulfamoylamino)methyl]butanoic acid
CID 114806376
methyl 2-(ethylsulfamoylamino)-3-methylbutanoate
CID 114811430
(2S)-2-(propylsulfamoylamino)butan-1-ol
CID 104981941
3-cyclopropyl-3-(propylsulfamoylamino)propanoic acid
CID 114806972
2-methoxy-3-(propylsulfamoylamino)propanoic acid
CID 106108270

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid?
The IUPAC name of (2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid (CID 104977826) is (2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid?
The canonical SMILES for (2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid is CCCNS(=O)(=O)N[C@H](C(=O)O)C(C)C.
What is the InChIKey of (2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid?
The InChIKey is DKAPWNZUVHZSEY-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O4S/c1-4-5-9-15(13,14)10-7(6(2)3)8(11)12/h6-7,9-10H,4-5H2,1-3H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid?
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid has a molecular weight of 238.31 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid is sourced from PubChem (CID 104977826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).