1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol

C13H28N2O3S2 — CID 66383135

IUPAC1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCCS(=O)(=O)C1CSCCN1CC(C)(O)CNC(C)C
InChIInChI=1S/C13H28N2O3S2/c1-5-20(17,18)12-8-19-7-6-15(12)10-13(4,16)9-14-11(2)3/h11-12,14,16H,5-10H2,1-4H3
InChIKeySYBAZMBZJSDFGG-UHFFFAOYSA-N
MW324.51 g/mol
LogP0.55
Rot. Bonds7

About 1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol

1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 66383135) has the molecular formula C13H28N2O3S2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID66383135
Molecular FormulaC13H28N2O3S2
Molecular Weight324.51 g/mol
Exact Mass324.15
IUPAC Name1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCCS(=O)(=O)C1CSCCN1CC(C)(O)CNC(C)C
InChIInChI=1S/C13H28N2O3S2/c1-5-20(17,18)12-8-19-7-6-15(12)10-13(4,16)9-14-11(2)3/h11-12,14,16H,5-10H2,1-4H3
InChIKeySYBAZMBZJSDFGG-UHFFFAOYSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol (CID 66383135) is 1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol is CCS(=O)(=O)C1CSCCN1CC(C)(O)CNC(C)C.
What is the InChIKey of 1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is SYBAZMBZJSDFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S2/c1-5-20(17,18)12-8-19-7-6-15(12)10-13(4,16)9-14-11(2)3/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 324.51 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylthiomorpholin-4-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 66383135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).