ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate

C5H10F3NO3S — CID 130383019

IUPACethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate
SMILESCCOS(=O)(=O)NC(C)C(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-3-12-13(10,11)9-4(2)5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyYZNMCMKKMFCQHS-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.81
Rot. Bonds4

About ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate

ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate (PubChem CID 130383019) has the molecular formula C5H10F3NO3S and a molecular weight of 221.20 g/mol. Its IUPAC name is ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate.

Molecular Properties

Compound Nameethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate
PubChem CID130383019
Molecular FormulaC5H10F3NO3S
Molecular Weight221.20 g/mol
Exact Mass221.03
IUPAC Nameethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate
SMILESCCOS(=O)(=O)NC(C)C(F)(F)F
InChIInChI=1S/C5H10F3NO3S/c1-3-12-13(10,11)9-4(2)5(6,7)8/h4,9H,3H2,1-2H3
InChIKeyYZNMCMKKMFCQHS-UHFFFAOYSA-N
XLogP0.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trifluoromethyl N-propylsulfamate
CID 91366587
N-(ethylsulfamoyl)-1,1,1-trifluoropropan-2-amine
CID 130383026
2,2-difluorobut-3-ynyl N-butan-2-ylsulfamate
CID 139356331
2-methylpropyl N-(1,1,1-trifluoro-3-methylbutan-2-yl)sulfamate
CID 140915631
(4S)-7,7-difluoro-4-methyl-1-oxa-2lambda6-thia-3-azacyclooct-5-yne 2,2-dioxide
CID 153418595
4-Ethyl-7,7-difluoro-1-oxa-2lambda6-thia-3-azacyclooct-5-yne 2,2-dioxide
CID 153418600
methyl N-(3,3-difluorocyclobutyl)sulfamate
CID 169607057
Sulfamic acid, (1-methylethyl)-, ethyl ester
CID 153781
1,1,1-trifluoro-N-(1-methoxypropan-2-yl)methanesulfonamide
CID 101142115
1,1,1-Trifluoro-3-(sulfamoylamino)butane
CID 104854746
2,2-Difluoro-3-(propan-2-ylsulfamoylamino)propan-1-ol
CID 104858881
(2S)-2-(2,2,2-trifluoroethylsulfamoylamino)propan-1-ol
CID 104978063

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate?
The IUPAC name of ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate (CID 130383019) is ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate.
What is the SMILES notation for ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate?
The canonical SMILES for ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate is CCOS(=O)(=O)NC(C)C(F)(F)F.
What is the InChIKey of ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate?
The InChIKey is YZNMCMKKMFCQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO3S/c1-3-12-13(10,11)9-4(2)5(6,7)8/h4,9H,3H2,1-2H3.
What are the key properties of ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate?
ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate has a molecular weight of 221.20 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1,1,1-trifluoropropan-2-yl)sulfamate is sourced from PubChem (CID 130383019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).