N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine

C11H18N4O3S — CID 124994888

IUPACN,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine
SMILESCN(C)c1nccnc1[C@@H]1CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C11H18N4O3S/c1-14(2)11-10(12-4-5-13-11)9-8-15(6-7-18-9)19(3,16)17/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1
InChIKeyQHXWJBBGWJNOAC-VIFPVBQESA-N
MW286.36 g/mol
LogP-0.12
Rot. Bonds3

About N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine

N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine (PubChem CID 124994888) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine
PubChem CID124994888
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine
SMILESCN(C)c1nccnc1[C@@H]1CN(S(C)(=O)=O)CCO1
InChIInChI=1S/C11H18N4O3S/c1-14(2)11-10(12-4-5-13-11)9-8-15(6-7-18-9)19(3,16)17/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1
InChIKeyQHXWJBBGWJNOAC-VIFPVBQESA-N
XLogP-0.12
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine?
The IUPAC name of N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine (CID 124994888) is N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine is CN(C)c1nccnc1[C@@H]1CN(S(C)(=O)=O)CCO1.
What is the InChIKey of N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine?
The InChIKey is QHXWJBBGWJNOAC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-14(2)11-10(12-4-5-13-11)9-8-15(6-7-18-9)19(3,16)17/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1.
What are the key properties of N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine?
N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine has a molecular weight of 286.36 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2S)-4-methylsulfonylmorpholin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 124994888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).