2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol

C7H15NO3S — CID 7059103

IUPAC2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol
SMILESC[C@]1(NCCO)CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO3S/c1-7(8-3-4-9)2-5-12(10,11)6-7/h8-9H,2-6H2,1H3/t7-/m0/s1
InChIKeySYXGZQKBWXSACH-ZETCQYMHSA-N
MW193.27 g/mol
LogP-0.85
Rot. Bonds3

About 2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol

2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol (PubChem CID 7059103) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol
PubChem CID7059103
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol
SMILESC[C@]1(NCCO)CCS(=O)(=O)C1
InChIInChI=1S/C7H15NO3S/c1-7(8-3-4-9)2-5-12(10,11)6-7/h8-9H,2-6H2,1H3/t7-/m0/s1
InChIKeySYXGZQKBWXSACH-ZETCQYMHSA-N
XLogP-0.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-((2-Hydroxyethyl)amino)tetrahydrothiophene 1,1-dioxide
CID 422971
3-Hydroxy-4-[(methylethyl)amino]thiolane-1,1-dione
CID 2829778
2-[(1,1-Dioxidotetrahydro-3-thienyl)amino]ethanol hydrochloride
CID 16896370
3-[(1-Hydroxy-2-methylpropan-2-yl)amino]-1lambda6-thiolane-1,1-dione
CID 20312622
4-Isobutylamino-1,1-dioxo-tetrahydrothiophen-3-ol
CID 3131600
N-(2-hydroxyethyl)tetrahydrothiophen-3-aminium 1,1-dioxide chloride
CID 21206235
[1,1-Dioxo-3-(2,2,2-trifluoroethylamino)thiolan-3-yl]methanol
CID 63166303
1,1,1-Trifluoro-3-[(3-methyl-1,1-dioxothiolan-3-yl)amino]propan-2-ol
CID 63901277
4-[[(2S)-1-fluoropropan-2-yl]amino]-1,1-dioxothiolan-3-ol
CID 131208957
trans-4-(Methylamino)tetrahydrothiophene-3-ol 1,1-dioxide
CID 7059075
trans-3-Hydroxy-4-(methylamino)tetrahydrothiophene1,1-dioxide
CID 7059081
1-[(1,1-Dioxothiolan-3-yl)amino]propan-2-ol
CID 20509054

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol?
The IUPAC name of 2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol (CID 7059103) is 2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol.
What is the SMILES notation for 2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol?
The canonical SMILES for 2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol is C[C@]1(NCCO)CCS(=O)(=O)C1.
What is the InChIKey of 2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol?
The InChIKey is SYXGZQKBWXSACH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-7(8-3-4-9)2-5-12(10,11)6-7/h8-9H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of 2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol?
2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol has a molecular weight of 193.27 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]ethanol is sourced from PubChem (CID 7059103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).