[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid

C8H16N2O5S — CID 174157961

IUPAC[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid
SMILESCS(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)O)CO1
InChIInChI=1S/C8H16N2O5S/c1-16(13,14)9-4-7-3-2-6(5-15-7)10-8(11)12/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyJNQLSCOQUCAMHT-RQJHMYQMSA-N
MW252.29 g/mol
LogP-0.65
Rot. Bonds4

About [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid

[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid (PubChem CID 174157961) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid
PubChem CID174157961
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid
SMILESCS(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)O)CO1
InChIInChI=1S/C8H16N2O5S/c1-16(13,14)9-4-7-3-2-6(5-15-7)10-8(11)12/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyJNQLSCOQUCAMHT-RQJHMYQMSA-N
XLogP-0.65
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamic acid
CID 90108644
[(3R,6S)-6-(iodomethyl)oxan-3-yl]carbamic acid
CID 141137968
[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]azanium chloride
CID 169220630
[6-(cyanomethyl)oxan-3-yl]carbamic acid
CID 118484483
[(3R,6R)-6-(cyanomethyl)oxan-3-yl]carbamic acid
CID 118484501
[(3R,6S)-6-(carbamoyloxymethyl)oxan-3-yl]carbamic acid
CID 175783825
tert-butyl N-[(3R,6S)-6-[(2-hydroxyethylsulfonylamino)methyl]oxan-3-yl]carbamate
CID 164580612
N-[6-(hydroxymethyl)oxan-3-yl]acetamide
CID 89371393
N-[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]propanamide
CID 172572264
(5-hydroxyoxan-2-yl)methylcarbamic acid
CID 138697031
tert-butyl N-[(3S)-6-(hydroxymethyl)oxan-3-yl]carbamate;[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxan-2-yl]methyl methanesulfonate
CID 162042345
N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]acetamide
CID 25390436

Frequently Asked Questions

What is the IUPAC name of [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid?
The IUPAC name of [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid (CID 174157961) is [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid.
What is the SMILES notation for [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid?
The canonical SMILES for [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid is CS(=O)(=O)NC[C@@H]1CC[C@@H](NC(=O)O)CO1.
What is the InChIKey of [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid?
The InChIKey is JNQLSCOQUCAMHT-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-16(13,14)9-4-7-3-2-6(5-15-7)10-8(11)12/h6-7,9-10H,2-5H2,1H3,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid?
[(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid has a molecular weight of 252.29 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6S)-6-(methanesulfonamidomethyl)oxan-3-yl]carbamic acid is sourced from PubChem (CID 174157961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).