[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate

C12H17N3O6S — CID 59671285

IUPAC[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@H]1C[C@@H](NC(=O)c2cccnc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H17N3O6S/c13-22(19,20)21-6-8-4-9(11(17)10(8)16)15-12(18)7-2-1-3-14-5-7/h1-3,5,8-11,16-17H,4,6H2,(H,15,18)(H2,13,19,20)/t8-,9-,10-,11+/m1/s1
InChIKeyRRQYUWVZNNLXLZ-DBIOUOCHSA-N
MW331.35 g/mol
LogP-1.86
Rot. Bonds5

About [(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate

[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate (PubChem CID 59671285) has the molecular formula C12H17N3O6S and a molecular weight of 331.35 g/mol. Its IUPAC name is [(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate.

Molecular Properties

Compound Name[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate
PubChem CID59671285
Molecular FormulaC12H17N3O6S
Molecular Weight331.35 g/mol
Exact Mass331.08
IUPAC Name[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate
SMILESNS(=O)(=O)OC[C@H]1C[C@@H](NC(=O)c2cccnc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H17N3O6S/c13-22(19,20)21-6-8-4-9(11(17)10(8)16)15-12(18)7-2-1-3-14-5-7/h1-3,5,8-11,16-17H,4,6H2,(H,15,18)(H2,13,19,20)/t8-,9-,10-,11+/m1/s1
InChIKeyRRQYUWVZNNLXLZ-DBIOUOCHSA-N
XLogP-1.86
TPSA151.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate with MolForge

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Related Compounds

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide
CID 142751130
N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 171149979
trans-methyl (1S,2S)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylate
CID 97053849
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(4-methylsulfonylphenoxy)methyl]cyclopentyl]benzamide
CID 75529516
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]pyrazine-2-carboxamide
CID 75529533
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
N-[(1R,2S,3R,4R)-2-(dimethylamino)-3-hydroxy-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
CID 110157409
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[(1R,2S,3R,4R)-3-hydroxy-2-morpholin-4-yl-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
CID 110157411

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate?
The IUPAC name of [(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate (CID 59671285) is [(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate.
What is the SMILES notation for [(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate?
The canonical SMILES for [(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate is NS(=O)(=O)OC[C@H]1C[C@@H](NC(=O)c2cccnc2)[C@H](O)[C@@H]1O.
What is the InChIKey of [(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate?
The InChIKey is RRQYUWVZNNLXLZ-DBIOUOCHSA-N. The full InChI is InChI=1S/C12H17N3O6S/c13-22(19,20)21-6-8-4-9(11(17)10(8)16)15-12(18)7-2-1-3-14-5-7/h1-3,5,8-11,16-17H,4,6H2,(H,15,18)(H2,13,19,20)/t8-,9-,10-,11+/m1/s1.
What are the key properties of [(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate?
[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate has a molecular weight of 331.35 g/mol, XLogP of -1.86, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate is sourced from PubChem (CID 59671285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).