[(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate

C10H17N5O5S — CID 59671264

IUPAC[(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate
SMILESCc1ncnc(N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C10H17N5O5S/c1-5-12-4-13-10(14-5)15-7-2-6(8(16)9(7)17)3-20-21(11,18)19/h4,6-9,16-17H,2-3H2,1H3,(H2,11,18,19)(H,12,13,14,15)/t6-,7-,8-,9+/m1/s1
InChIKeyFPWZIWVVYHKHNV-BGZDPUMWSA-N
MW319.34 g/mol
LogP-2.08
Rot. Bonds5

About [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate

[(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate (PubChem CID 59671264) has the molecular formula C10H17N5O5S and a molecular weight of 319.34 g/mol. Its IUPAC name is [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate.

Molecular Properties

Compound Name[(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate
PubChem CID59671264
Molecular FormulaC10H17N5O5S
Molecular Weight319.34 g/mol
Exact Mass319.10
IUPAC Name[(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate
SMILESCc1ncnc(N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C10H17N5O5S/c1-5-12-4-13-10(14-5)15-7-2-6(8(16)9(7)17)3-20-21(11,18)19/h4,6-9,16-17H,2-3H2,1H3,(H2,11,18,19)(H,12,13,14,15)/t6-,7-,8-,9+/m1/s1
InChIKeyFPWZIWVVYHKHNV-BGZDPUMWSA-N
XLogP-2.08
TPSA160.55 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate with MolForge

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Related Compounds

(1R,2S,3R,5R)-3-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 59671237
[(1R,2R,3S,4R)-4-[(4-amino-1,3,5-triazin-2-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate
CID 87160194

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate?
The IUPAC name of [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate (CID 59671264) is [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate.
What is the SMILES notation for [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate?
The canonical SMILES for [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate is Cc1ncnc(N[C@@H]2C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate?
The InChIKey is FPWZIWVVYHKHNV-BGZDPUMWSA-N. The full InChI is InChI=1S/C10H17N5O5S/c1-5-12-4-13-10(14-5)15-7-2-6(8(16)9(7)17)3-20-21(11,18)19/h4,6-9,16-17H,2-3H2,1H3,(H2,11,18,19)(H,12,13,14,15)/t6-,7-,8-,9+/m1/s1.
What are the key properties of [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate?
[(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate has a molecular weight of 319.34 g/mol, XLogP of -2.08, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,4R)-2,3-dihydroxy-4-[(4-methyl-1,3,5-triazin-2-yl)amino]cyclopentyl]methyl sulfamate is sourced from PubChem (CID 59671264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).