N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine

C12H19N3O2S — CID 167017891

IUPACN-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine
SMILESCNN1CCN(S(C)(=O)=O)CC1c1ccccc1
InChIInChI=1S/C12H19N3O2S/c1-13-15-9-8-14(18(2,16)17)10-12(15)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3
InChIKeyUSAOJYZLCCIXGY-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.44
Rot. Bonds3

About N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine

N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine (PubChem CID 167017891) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine.

Molecular Properties

Compound NameN-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine
PubChem CID167017891
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine
SMILESCNN1CCN(S(C)(=O)=O)CC1c1ccccc1
InChIInChI=1S/C12H19N3O2S/c1-13-15-9-8-14(18(2,16)17)10-12(15)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3
InChIKeyUSAOJYZLCCIXGY-UHFFFAOYSA-N
XLogP0.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
1-(4-methylsulfonyl-2-phenylpiperazin-1-yl)ethanone
CID 127244769
(4S,9aR)-8-methylsulfonyl-4-phenyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 134702071
(3R)-N,N,4-trimethyl-3-phenylpiperazine-1-sulfonamide
CID 124669879
(2S)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine
CID 124988403
(2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine
CID 124988402
4-cyclopentylsulfonyl-1-methyl-2-phenylpiperazine
CID 110617293
4-methyl-1-methylsulfonyl-2-phenylpiperazine;hydrochloride
CID 47013193
1-methyl-2-phenyl-4-propylsulfonylpiperazine
CID 110418547
N-methyl-2-(4-methylsulfonylpiperazin-1-yl)aniline
CID 71142174
N-methyl-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-3-phenylcyclobutan-1-amine
CID 166265691
1-[(3S)-4-[1-[4-[(2S)-4-methylsulfonyl-1-propan-2-ylpiperazin-2-yl]phenyl]propan-2-yl]-3-phenylpiperazin-1-yl]ethanone
CID 154987773

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine?
The IUPAC name of N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine (CID 167017891) is N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine.
What is the SMILES notation for N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine?
The canonical SMILES for N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine is CNN1CCN(S(C)(=O)=O)CC1c1ccccc1.
What is the InChIKey of N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine?
The InChIKey is USAOJYZLCCIXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-13-15-9-8-14(18(2,16)17)10-12(15)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3.
What are the key properties of N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine?
N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine has a molecular weight of 269.37 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-methylsulfonyl-2-phenylpiperazin-1-amine is sourced from PubChem (CID 167017891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).