3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol

C8H17F2NO3S — CID 103914359

IUPAC3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol
SMILESCCS(=O)(=O)CC(C)NCC(O)C(F)F
InChIInChI=1S/C8H17F2NO3S/c1-3-15(13,14)5-6(2)11-4-7(12)8(9)10/h6-8,11-12H,3-5H2,1-2H3
InChIKeySUTOZNNFJKEXKI-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.03
Rot. Bonds7

About 3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol

3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol (PubChem CID 103914359) has the molecular formula C8H17F2NO3S and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol
PubChem CID103914359
Molecular FormulaC8H17F2NO3S
Molecular Weight245.29 g/mol
Exact Mass245.09
IUPAC Name3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol
SMILESCCS(=O)(=O)CC(C)NCC(O)C(F)F
InChIInChI=1S/C8H17F2NO3S/c1-3-15(13,14)5-6(2)11-4-7(12)8(9)10/h6-8,11-12H,3-5H2,1-2H3
InChIKeySUTOZNNFJKEXKI-UHFFFAOYSA-N
XLogP0.03
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-({3-[3,4,4,4-Tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl]propyl}amino)ethan-1-ol
CID 86696851
3-Hydroxy-4-[(methylethyl)amino]thiolane-1,1-dione
CID 2829778
4-((2-Hydroxypropyl)amino)-1lambda6-thiane-1,1-dione hydrochloride
CID 75511749
4-Isobutylamino-1,1-dioxo-tetrahydrothiophen-3-ol
CID 3131600
4-((2-Hydroxypropyl)amino)tetrahydro-2H-thiopyran 1,1-dioxide
CID 43511752
1lambda~6~-Thiolane-1,1-dione--1,1'-azanediyldi(propan-2-ol)--water (1/1/1)
CID 190009
2-({3-[(3,3,3-Trifluoropropyl)sulphonyl]propyl}amino)ethanol
CID 86696813
3-({3-[(3,3,3-Trifluoropropyl)sulphonyl]propyl}amino)propan-1-ol
CID 86696814
2-Methyl-1-({3-[(3,3,3-trifluoropropyl)sulphonyl]propyl}amino)propan-2-ol
CID 86696815
2-[4-(4,4,4-Trifluorobutylsulfonyl)butylamino]ethanol
CID 86696835
(2S)-1-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]propan-2-ol
CID 86696837
(2R)-1-[4-(4,4,4-trifluorobutylsulfonyl)butylamino]propan-2-ol
CID 86696838

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol (CID 103914359) is 3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol is CCS(=O)(=O)CC(C)NCC(O)C(F)F.
What is the InChIKey of 3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol?
The InChIKey is SUTOZNNFJKEXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO3S/c1-3-15(13,14)5-6(2)11-4-7(12)8(9)10/h6-8,11-12H,3-5H2,1-2H3.
What are the key properties of 3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol?
3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol has a molecular weight of 245.29 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfonylpropan-2-ylamino)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103914359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).