1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine

C14H30N4O3S — CID 120847809

IUPAC1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine
SMILESCC1CN(S(=O)(=O)N2CCN(CC(C)(C)N)CC2)CC(C)O1
InChIInChI=1S/C14H30N4O3S/c1-12-9-18(10-13(2)21-12)22(19,20)17-7-5-16(6-8-17)11-14(3,4)15/h12-13H,5-11,15H2,1-4H3
InChIKeyCQVVSSHFWROIBE-UHFFFAOYSA-N
MW334.49 g/mol
LogP-0.30
Rot. Bonds4

About 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine

1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine (PubChem CID 120847809) has the molecular formula C14H30N4O3S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine
PubChem CID120847809
Molecular FormulaC14H30N4O3S
Molecular Weight334.49 g/mol
Exact Mass334.20
IUPAC Name1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine
SMILESCC1CN(S(=O)(=O)N2CCN(CC(C)(C)N)CC2)CC(C)O1
InChIInChI=1S/C14H30N4O3S/c1-12-9-18(10-13(2)21-12)22(19,20)17-7-5-16(6-8-17)11-14(3,4)15/h12-13H,5-11,15H2,1-4H3
InChIKeyCQVVSSHFWROIBE-UHFFFAOYSA-N
XLogP-0.30
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 63004401
(2R,6R)-4-[4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 94398479
2,6-dimethyl-4-piperazin-1-ylsulfonylmorpholine;hydrochloride
CID 119961532
2,6-dimethyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 46405709
[1-(2,6-dimethylmorpholin-4-yl)sulfonylpiperidin-4-yl]methanol
CID 54878650
(3R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpyrrolidin-3-amine
CID 124572808
1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine
CID 120858500
(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79410684
3-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51880398
[3-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751176
4-amino-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]pentan-1-one
CID 120560564
1-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-methylpiperidin-4-ol
CID 81103434

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine?
The IUPAC name of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine (CID 120847809) is 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine.
What is the SMILES notation for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine?
The canonical SMILES for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine is CC1CN(S(=O)(=O)N2CCN(CC(C)(C)N)CC2)CC(C)O1.
What is the InChIKey of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine?
The InChIKey is CQVVSSHFWROIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O3S/c1-12-9-18(10-13(2)21-12)22(19,20)17-7-5-16(6-8-17)11-14(3,4)15/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine?
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine has a molecular weight of 334.49 g/mol, XLogP of -0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 120847809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).