tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate

C13H26N2O6S — CID 164580612

IUPACtert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNS(=O)(=O)CCO)OC1
InChIInChI=1S/C13H26N2O6S/c1-13(2,3)21-12(17)15-10-4-5-11(20-9-10)8-14-22(18,19)7-6-16/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyLFTIUNCCMIFDAL-MNOVXSKESA-N
MW338.43 g/mol
LogP-0.03
Rot. Bonds6

About tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate

tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate (PubChem CID 164580612) has the molecular formula C13H26N2O6S and a molecular weight of 338.43 g/mol. Its IUPAC name is tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate
PubChem CID164580612
Molecular FormulaC13H26N2O6S
Molecular Weight338.43 g/mol
Exact Mass338.15
IUPAC Nametert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNS(=O)(=O)CCO)OC1
InChIInChI=1S/C13H26N2O6S/c1-13(2,3)21-12(17)15-10-4-5-11(20-9-10)8-14-22(18,19)7-6-16/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyLFTIUNCCMIFDAL-MNOVXSKESA-N
XLogP-0.03
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3R,6S)-6-[(cyanoamino)methyl]oxan-3-yl]carbamate
CID 164580553
tert-butyl N-[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamate;[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl methanesulfonate
CID 162042345
tert-butyl N-[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamate
CID 164580567
[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid
CID 174157961
[5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl 4-methylbenzenesulfonate
CID 87372698
tert-butyl N-[(3R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-3-yl]carbamate
CID 142544419
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]ethanesulfonic acid
CID 91444664
[(3S,6R)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl] methanesulfonate
CID 138696976
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[1-(oxiran-2-ylmethyl)piperidin-4-yl]carbamate
CID 87133691
tert-butyl N-[4-(3,3,3-trifluoropropylsulfonylamino)cyclohexyl]carbamate
CID 169495134
tert-butyl N-[4-(oxiran-2-yl)cyclohexyl]carbamate
CID 87128955

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate (CID 164580612) is tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNS(=O)(=O)CCO)OC1.
What is the InChIKey of tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate?
The InChIKey is LFTIUNCCMIFDAL-MNOVXSKESA-N. The full InChI is InChI=1S/C13H26N2O6S/c1-13(2,3)21-12(17)15-10-4-5-11(20-9-10)8-14-22(18,19)7-6-16/h10-11,14,16H,4-9H2,1-3H3,(H,15,17)/t10-,11+/m1/s1.
What are the key properties of tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate?
tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate has a molecular weight of 338.43 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate is sourced from PubChem (CID 164580612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).