1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

C14H22N4O3S — CID 135115048

IUPAC1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1Nc1cc(C2CC2)ncn1
InChIInChI=1S/C14H22N4O3S/c1-18(2)22(19,20)8-11-6-21-7-13(11)17-14-5-12(10-3-4-10)15-9-16-14/h5,9-11,13H,3-4,6-8H2,1-2H3,(H,15,16,17)/t11-,13+/m0/s1
InChIKeyTUZUJPFAFQHQHS-WCQYABFASA-N
MW326.42 g/mol
LogP0.67
Rot. Bonds6

About 1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 135115048) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID135115048
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC Name1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1Nc1cc(C2CC2)ncn1
InChIInChI=1S/C14H22N4O3S/c1-18(2)22(19,20)8-11-6-21-7-13(11)17-14-5-12(10-3-4-10)15-9-16-14/h5,9-11,13H,3-4,6-8H2,1-2H3,(H,15,16,17)/t11-,13+/m0/s1
InChIKeyTUZUJPFAFQHQHS-WCQYABFASA-N
XLogP0.67
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S,4S)-4-[(5-acetyl-2-pyridinyl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 135117620
1-[(3S,4S)-4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 135090383
methyl 5-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]pyrazine-2-carboxylate
CID 162625903
N,N-dimethyl-1-[(3S,4R)-4-(7H-purin-6-ylamino)oxolan-3-yl]methanesulfonamide
CID 135102830
2-[(3S,4R)-3-[(6-cyclopropylpyrimidin-4-yl)amino]oxan-4-yl]oxy-N,N-dimethylacetamide
CID 133268181
N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide
CID 135095881
N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide
CID 135089691
N,N-dimethyl-1-[(3S,4R)-4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]methanesulfonamide
CID 135117350
6-[[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-N-methylpyridazine-3-carboxamide
CID 162636079
3,4-dichloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135088948
methyl 2-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]amino]-6-methylpyrimidine-4-carboxylate
CID 164690871
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(methylamino)pyridine-3-carboxamide
CID 135111929

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide (CID 135115048) is 1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1Nc1cc(C2CC2)ncn1.
What is the InChIKey of 1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is TUZUJPFAFQHQHS-WCQYABFASA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-18(2)22(19,20)8-11-6-21-7-13(11)17-14-5-12(10-3-4-10)15-9-16-14/h5,9-11,13H,3-4,6-8H2,1-2H3,(H,15,16,17)/t11-,13+/m0/s1.
What are the key properties of 1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-4-[(6-cyclopropylpyrimidin-4-yl)amino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 135115048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).