N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide

C14H24N4O3S — CID 135089691

IUPACN,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide
SMILESCC(C)c1cnc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)nc1
InChIInChI=1S/C14H24N4O3S/c1-10(2)11-5-15-14(16-6-11)17-13-8-21-7-12(13)9-22(19,20)18(3)4/h5-6,10,12-13H,7-9H2,1-4H3,(H,15,16,17)/t12-,13+/m0/s1
InChIKeyTXRNNIZMDPHMMO-QWHCGFSZSA-N
MW328.44 g/mol
LogP0.92
Rot. Bonds6

About N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide

N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide (PubChem CID 135089691) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide
PubChem CID135089691
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide
SMILESCC(C)c1cnc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)nc1
InChIInChI=1S/C14H24N4O3S/c1-10(2)11-5-15-14(16-6-11)17-13-8-21-7-12(13)9-22(19,20)18(3)4/h5-6,10,12-13H,7-9H2,1-4H3,(H,15,16,17)/t12-,13+/m0/s1
InChIKeyTXRNNIZMDPHMMO-QWHCGFSZSA-N
XLogP0.92
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide?
The IUPAC name of N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide (CID 135089691) is N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide?
The canonical SMILES for N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide is CC(C)c1cnc(N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C)nc1.
What is the InChIKey of N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide?
The InChIKey is TXRNNIZMDPHMMO-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-10(2)11-5-15-14(16-6-11)17-13-8-21-7-12(13)9-22(19,20)18(3)4/h5-6,10,12-13H,7-9H2,1-4H3,(H,15,16,17)/t12-,13+/m0/s1.
What are the key properties of N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide?
N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide has a molecular weight of 328.44 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(3S,4S)-4-[(5-propan-2-ylpyrimidin-2-yl)amino]oxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 135089691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).