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

C10H18N6O4S — CID 126610707

IUPAC[(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate
SMILESCNc1ncnc(N[C@@H]2C[C@@H](COS(N)(=O)=O)[C@@H](O)C2)n1
InChIInChI=1S/C10H18N6O4S/c1-12-9-13-5-14-10(16-9)15-7-2-6(8(17)3-7)4-20-21(11,18)19/h5-8,17H,2-4H2,1H3,(H2,11,18,19)(H2,12,13,14,15,16)/t6-,7+,8-/m0/s1
InChIKeyMVCVDPPXYGIQHT-RNJXMRFFSA-N
MW318.36 g/mol
LogP-1.32
Rot. Bonds6

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

[(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate (PubChem CID 126610707) has the molecular formula C10H18N6O4S and a molecular weight of 318.36 g/mol. Its IUPAC name is [(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate.

Molecular Properties

Compound Name[(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate
PubChem CID126610707
Molecular FormulaC10H18N6O4S
Molecular Weight318.36 g/mol
Exact Mass318.11
IUPAC Name[(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate
SMILESCNc1ncnc(N[C@@H]2C[C@@H](COS(N)(=O)=O)[C@@H](O)C2)n1
InChIInChI=1S/C10H18N6O4S/c1-12-9-13-5-14-10(16-9)15-7-2-6(8(17)3-7)4-20-21(11,18)19/h5-8,17H,2-4H2,1H3,(H2,11,18,19)(H2,12,13,14,15,16)/t6-,7+,8-/m0/s1
InChIKeyMVCVDPPXYGIQHT-RNJXMRFFSA-N
XLogP-1.32
TPSA152.35 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Related Compounds

[(1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium
CID 142588246
(1R,2S,3R,5R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
CID 150307493
[(1R,2S,3R)-2-fluoro-5-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-hydroxy-oxophosphanium
CID 163604893
[(1R,2R,3S,4R)-4-[(4-amino-1,3,5-triazin-2-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate
CID 87160194
[(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol
CID 142588322
hydroxy-[(1S,2R,4R)-2-(hydroxymethyl)-4-(1,3,5-triazin-2-ylamino)cyclopentyl]oxy-oxophosphanium
CID 142588340
1-(Hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
CID 150004194
(1S,2R,4R)-2-(hydroxymethyl)-4-[methyl(1,3,5-triazin-2-yl)amino]cyclopentan-1-ol
CID 152226173
[(1R,2S,4R)-4-(1,3,5-triazin-2-ylamino)-2-tri(propan-2-yl)silyloxycyclopentyl]methanol
CID 152476604
[(1R,2S,4R)-4-[(4-chloro-1,3,5-triazin-2-yl)amino]-2-tri(propan-2-yl)silyloxycyclopentyl]methanol
CID 155663677
(1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
CID 158687457
(1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol;methane
CID 160168174

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate?
The IUPAC name of [(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate (CID 126610707) is [(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate.
What is the SMILES notation for [(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate?
The canonical SMILES for [(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate is CNc1ncnc(N[C@@H]2C[C@@H](COS(N)(=O)=O)[C@@H](O)C2)n1.
What is the InChIKey of [(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate?
The InChIKey is MVCVDPPXYGIQHT-RNJXMRFFSA-N. The full InChI is InChI=1S/C10H18N6O4S/c1-12-9-13-5-14-10(16-9)15-7-2-6(8(17)3-7)4-20-21(11,18)19/h5-8,17H,2-4H2,1H3,(H2,11,18,19)(H2,12,13,14,15,16)/t6-,7+,8-/m0/s1.
What are the key properties of [(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate?
[(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate has a molecular weight of 318.36 g/mol, XLogP of -1.32, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R)-2-hydroxy-4-[[4-(methylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methyl sulfamate is sourced from PubChem (CID 126610707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).