(2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane

C3H7F3N2O2S — CID 140578437

IUPAC(2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane
SMILESC[C@H](NS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C3H7F3N2O2S/c1-2(3(4,5)6)8-11(7,9)10/h2,8H,1H3,(H2,7,9,10)/t2-/m0/s1
InChIKeyNNXWXFACFMKRBK-REOHCLBHSA-N
MW192.16 g/mol
LogP-0.27
Rot. Bonds2

About (2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane

(2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane (PubChem CID 140578437) has the molecular formula C3H7F3N2O2S and a molecular weight of 192.16 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane
PubChem CID140578437
Molecular FormulaC3H7F3N2O2S
Molecular Weight192.16 g/mol
Exact Mass192.02
IUPAC Name(2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane
SMILESC[C@H](NS(N)(=O)=O)C(F)(F)F
InChIInChI=1S/C3H7F3N2O2S/c1-2(3(4,5)6)8-11(7,9)10/h2,8H,1H3,(H2,7,9,10)/t2-/m0/s1
InChIKeyNNXWXFACFMKRBK-REOHCLBHSA-N
XLogP-0.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Difluoroethylsulfamide
CID 112695841
1,1,1-Trifluoropropan-2-ylsulfamic acid
CID 17804129
potassium;N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 23705468
sodium;N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 23707325
1,1,1-Trifluoro-2-(sulfinatoamino)propane
CID 91315691
2,2,2-trifluoro-N-(methylsulfamoyl)ethanamine
CID 114807143
N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
Potassium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid
CID 173392627
Sodium;hydride;1,1,1-trifluoropropan-2-ylsulfamic acid
CID 173392635
1,1,2-Trifluoro-2-(sulfamoylamino)ethane
CID 174493044
N-(1,1,1-trifluoropropan-2-yl)sulfamate
CID 17804134
1,1,1-Trifluoro-2-(sulfinoamino)propane
CID 90312733

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane?
The IUPAC name of (2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane (CID 140578437) is (2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane is C[C@H](NS(N)(=O)=O)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane?
The InChIKey is NNXWXFACFMKRBK-REOHCLBHSA-N. The full InChI is InChI=1S/C3H7F3N2O2S/c1-2(3(4,5)6)8-11(7,9)10/h2,8H,1H3,(H2,7,9,10)/t2-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane?
(2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane has a molecular weight of 192.16 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-(sulfamoylamino)propane is sourced from PubChem (CID 140578437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).