2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide

C11H18N4O4S — CID 142698718

IUPAC2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide
SMILESNS(=O)(=O)CC[C@H]1C[C@@H](Nc2ccncn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H18N4O4S/c12-20(18,19)4-2-7-5-8(11(17)10(7)16)15-9-1-3-13-6-14-9/h1,3,6-8,10-11,16-17H,2,4-5H2,(H2,12,18,19)(H,13,14,15)/t7-,8+,10+,11-/m0/s1
InChIKeyPGNACCPBYHMBBF-URPMGSGRSA-N
MW302.36 g/mol
LogP-1.32
Rot. Bonds5

About 2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide

2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide (PubChem CID 142698718) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide
PubChem CID142698718
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide
SMILESNS(=O)(=O)CC[C@H]1C[C@@H](Nc2ccncn2)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H18N4O4S/c12-20(18,19)4-2-7-5-8(11(17)10(7)16)15-9-1-3-13-6-14-9/h1,3,6-8,10-11,16-17H,2,4-5H2,(H2,12,18,19)(H,13,14,15)/t7-,8+,10+,11-/m0/s1
InChIKeyPGNACCPBYHMBBF-URPMGSGRSA-N
XLogP-1.32
TPSA138.43 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide?
The IUPAC name of 2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide (CID 142698718) is 2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide.
What is the SMILES notation for 2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide?
The canonical SMILES for 2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide is NS(=O)(=O)CC[C@H]1C[C@@H](Nc2ccncn2)[C@H](O)[C@@H]1O.
What is the InChIKey of 2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide?
The InChIKey is PGNACCPBYHMBBF-URPMGSGRSA-N. The full InChI is InChI=1S/C11H18N4O4S/c12-20(18,19)4-2-7-5-8(11(17)10(7)16)15-9-1-3-13-6-14-9/h1,3,6-8,10-11,16-17H,2,4-5H2,(H2,12,18,19)(H,13,14,15)/t7-,8+,10+,11-/m0/s1.
What are the key properties of 2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide?
2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide has a molecular weight of 302.36 g/mol, XLogP of -1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyrimidin-4-ylamino)cyclopentyl]ethanesulfonamide is sourced from PubChem (CID 142698718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).