1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid

C5H11F3N2O4S — CID 175933781

IUPAC1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid
SMILESCCCNS(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H10N2O2S.C2HF3O2/c1-2-3-5-8(4,6)7;3-2(4,5)1(6)7/h5H,2-3H2,1H3,(H2,4,6,7);(H,6,7)
InChIKeyPWPRNSVRVKITIV-UHFFFAOYSA-N
MW252.21 g/mol
LogP-0.18
Rot. Bonds3

About 1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid

1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid (PubChem CID 175933781) has the molecular formula C5H11F3N2O4S and a molecular weight of 252.21 g/mol. Its IUPAC name is 1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid
PubChem CID175933781
Molecular FormulaC5H11F3N2O4S
Molecular Weight252.21 g/mol
Exact Mass252.04
IUPAC Name1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid
SMILESCCCNS(N)(=O)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C3H10N2O2S.C2HF3O2/c1-2-3-5-8(4,6)7;3-2(4,5)1(6)7/h5H,2-3H2,1H3,(H2,4,6,7);(H,6,7)
InChIKeyPWPRNSVRVKITIV-UHFFFAOYSA-N
XLogP-0.18
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butylthiohydroxylamine;2,2,2-trifluoroacetic acid
CID 88317843
N-butylmethanesulfonamide;2,2,2-trifluoroacetic acid
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1-Amino-3-(sulfinatoamino)propane;2,2,2-trifluoroacetic acid
CID 137376499
N-(2-Aminoethyl)methanesulfonamide trifluoroacetate
CID 137376504
3-Aminopropylsulfamoyl 2,2,2-trifluoroacetate
CID 141489984
Propan-1-amine;bis(2,2,2-trifluoroacetic acid)
CID 172699050
3,3,3-Trifluoropropylsulfamoyl butanoate
CID 174966927
1-Amino-2-(sulfamoylamino)ethane;2,2,2-trifluoroacetic acid
CID 175728490
(Sulfamoylamino)ethane;2,2,2-trifluoroacetic acid
CID 175933782
(S)-2-((N-(2,2,2-trifluoroethyl)sulfamoyl)amino)propanoic acid
CID 91811068
2-(2,2,2-Trifluoroethylsulfamoylamino)propanoic acid
CID 92046568
(2R)-2-(2,2,2-trifluoroethylsulfamoylamino)propanoic acid
CID 104977903

Frequently Asked Questions

What is the IUPAC name of 1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid (CID 175933781) is 1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid is CCCNS(N)(=O)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid?
The InChIKey is PWPRNSVRVKITIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O2S.C2HF3O2/c1-2-3-5-8(4,6)7;3-2(4,5)1(6)7/h5H,2-3H2,1H3,(H2,4,6,7);(H,6,7).
What are the key properties of 1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid?
1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid has a molecular weight of 252.21 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfamoylamino)propane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175933781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).