[(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate

C10H16N4O4S — CID 141199448

IUPAC[(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@@H]1C[C@@H](Nc2ccncn2)C[C@@H]1O
InChIInChI=1S/C10H16N4O4S/c11-19(16,17)18-5-7-3-8(4-9(7)15)14-10-1-2-12-6-13-10/h1-2,6-9,15H,3-5H2,(H2,11,16,17)(H,12,13,14)/t7-,8+,9-/m0/s1
InChIKeyMPAQIGSUTHBFBN-YIZRAAEISA-N
MW288.33 g/mol
LogP-0.75
Rot. Bonds5

About [(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate

[(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate (PubChem CID 141199448) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is [(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate.

Molecular Properties

Compound Name[(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate
PubChem CID141199448
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name[(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@@H]1C[C@@H](Nc2ccncn2)C[C@@H]1O
InChIInChI=1S/C10H16N4O4S/c11-19(16,17)18-5-7-3-8(4-9(7)15)14-10-1-2-12-6-13-10/h1-2,6-9,15H,3-5H2,(H2,11,16,17)(H,12,13,14)/t7-,8+,9-/m0/s1
InChIKeyMPAQIGSUTHBFBN-YIZRAAEISA-N
XLogP-0.75
TPSA127.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate?
The IUPAC name of [(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate (CID 141199448) is [(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate.
What is the SMILES notation for [(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate?
The canonical SMILES for [(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate is NS(=O)(=O)OC[C@@H]1C[C@@H](Nc2ccncn2)C[C@@H]1O.
What is the InChIKey of [(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate?
The InChIKey is MPAQIGSUTHBFBN-YIZRAAEISA-N. The full InChI is InChI=1S/C10H16N4O4S/c11-19(16,17)18-5-7-3-8(4-9(7)15)14-10-1-2-12-6-13-10/h1-2,6-9,15H,3-5H2,(H2,11,16,17)(H,12,13,14)/t7-,8+,9-/m0/s1.
What are the key properties of [(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate?
[(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate has a molecular weight of 288.33 g/mol, XLogP of -0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-2-hydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]methyl sulfamate is sourced from PubChem (CID 141199448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).