[(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate

C11H18N4O5S — CID 59671374

IUPAC[(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate
SMILESCc1cc(N[C@@H]2C[C@@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)ncn1
InChIInChI=1S/C11H18N4O5S/c1-6-2-9(14-5-13-6)15-8-3-7(10(16)11(8)17)4-20-21(12,18)19/h2,5,7-8,10-11,16-17H,3-4H2,1H3,(H2,12,18,19)(H,13,14,15)/t7-,8+,10+,11-/m0/s1
InChIKeyMXJBOEYNBKURHB-URPMGSGRSA-N
MW318.36 g/mol
LogP-1.47
Rot. Bonds5

About [(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate

[(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate (PubChem CID 59671374) has the molecular formula C11H18N4O5S and a molecular weight of 318.36 g/mol. Its IUPAC name is [(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate.

Molecular Properties

Compound Name[(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate
PubChem CID59671374
Molecular FormulaC11H18N4O5S
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name[(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate
SMILESCc1cc(N[C@@H]2C[C@@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)ncn1
InChIInChI=1S/C11H18N4O5S/c1-6-2-9(14-5-13-6)15-8-3-7(10(16)11(8)17)4-20-21(12,18)19/h2,5,7-8,10-11,16-17H,3-4H2,1H3,(H2,12,18,19)(H,13,14,15)/t7-,8+,10+,11-/m0/s1
InChIKeyMXJBOEYNBKURHB-URPMGSGRSA-N
XLogP-1.47
TPSA147.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate?
The IUPAC name of [(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate (CID 59671374) is [(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate.
What is the SMILES notation for [(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate?
The canonical SMILES for [(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate is Cc1cc(N[C@@H]2C[C@@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)ncn1.
What is the InChIKey of [(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate?
The InChIKey is MXJBOEYNBKURHB-URPMGSGRSA-N. The full InChI is InChI=1S/C11H18N4O5S/c1-6-2-9(14-5-13-6)15-8-3-7(10(16)11(8)17)4-20-21(12,18)19/h2,5,7-8,10-11,16-17H,3-4H2,1H3,(H2,12,18,19)(H,13,14,15)/t7-,8+,10+,11-/m0/s1.
What are the key properties of [(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate?
[(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate has a molecular weight of 318.36 g/mol, XLogP of -1.47, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S,4R)-2,3-dihydroxy-4-[(6-methylpyrimidin-4-yl)amino]cyclopentyl]methyl sulfamate is sourced from PubChem (CID 59671374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).