N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide

C12H18N6O3S — CID 135102830

IUPACN,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C12H18N6O3S/c1-18(2)22(19,20)5-8-3-21-4-9(8)17-12-10-11(14-6-13-10)15-7-16-12/h6-9H,3-5H2,1-2H3,(H2,13,14,15,16,17)/t8-,9-/m0/s1
InChIKeyHEPUXQQVPKKEGV-IUCAKERBSA-N
MW326.38 g/mol
LogP-0.33
Rot. Bonds5

About N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide

N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide (PubChem CID 135102830) has the molecular formula C12H18N6O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide
PubChem CID135102830
Molecular FormulaC12H18N6O3S
Molecular Weight326.38 g/mol
Exact Mass326.12
IUPAC NameN,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1Nc1ncnc2nc[nH]c12
InChIInChI=1S/C12H18N6O3S/c1-18(2)22(19,20)5-8-3-21-4-9(8)17-12-10-11(14-6-13-10)15-7-16-12/h6-9H,3-5H2,1-2H3,(H2,13,14,15,16,17)/t8-,9-/m0/s1
InChIKeyHEPUXQQVPKKEGV-IUCAKERBSA-N
XLogP-0.33
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide (CID 135102830) is N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1Nc1ncnc2nc[nH]c12.
What is the InChIKey of N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide?
The InChIKey is HEPUXQQVPKKEGV-IUCAKERBSA-N. The full InChI is InChI=1S/C12H18N6O3S/c1-18(2)22(19,20)5-8-3-21-4-9(8)17-12-10-11(14-6-13-10)15-7-16-12/h6-9H,3-5H2,1-2H3,(H2,13,14,15,16,17)/t8-,9-/m0/s1.
What are the key properties of N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide?
N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide has a molecular weight of 326.38 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 135102830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).