[(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid

C6H14N2O4S — CID 134262664

IUPAC[(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid
SMILESN[C@H]1CCS(O)(O)C[C@H]1NC(=O)O
InChIInChI=1S/C6H14N2O4S/c7-4-1-2-13(11,12)3-5(4)8-6(9)10/h4-5,8,11-12H,1-3,7H2,(H,9,10)/t4-,5+/m0/s1
InChIKeyZMKIEROLCGRRSN-CRCLSJGQSA-N
MW210.25 g/mol
LogP0.10
Rot. Bonds1

About [(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid

[(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid (PubChem CID 134262664) has the molecular formula C6H14N2O4S and a molecular weight of 210.25 g/mol. Its IUPAC name is [(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid
PubChem CID134262664
Molecular FormulaC6H14N2O4S
Molecular Weight210.25 g/mol
Exact Mass210.07
IUPAC Name[(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid
SMILESN[C@H]1CCS(O)(O)C[C@H]1NC(=O)O
InChIInChI=1S/C6H14N2O4S/c7-4-1-2-13(11,12)3-5(4)8-6(9)10/h4-5,8,11-12H,1-3,7H2,(H,9,10)/t4-,5+/m0/s1
InChIKeyZMKIEROLCGRRSN-CRCLSJGQSA-N
XLogP0.10
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 50.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid?
The IUPAC name of [(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid (CID 134262664) is [(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid.
What is the SMILES notation for [(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid?
The canonical SMILES for [(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid is N[C@H]1CCS(O)(O)C[C@H]1NC(=O)O.
What is the InChIKey of [(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid?
The InChIKey is ZMKIEROLCGRRSN-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H14N2O4S/c7-4-1-2-13(11,12)3-5(4)8-6(9)10/h4-5,8,11-12H,1-3,7H2,(H,9,10)/t4-,5+/m0/s1.
What are the key properties of [(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid?
[(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid has a molecular weight of 210.25 g/mol, XLogP of 0.10, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-amino-1,1-dihydroxythian-3-yl]carbamic acid is sourced from PubChem (CID 134262664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).