methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate

C9H18N2O4S — CID 130277693

IUPACmethyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate
SMILESCOC(=O)C(N)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H18N2O4S/c1-15-9(12)8(10)7-3-5-11(6-4-7)16(2,13)14/h7-8H,3-6,10H2,1-2H3
InChIKeyKRSBPTZMBWOMFH-UHFFFAOYSA-N
MW250.32 g/mol
LogP-0.84
Rot. Bonds3

About methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate

methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate (PubChem CID 130277693) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate
PubChem CID130277693
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Namemethyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate
SMILESCOC(=O)C(N)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H18N2O4S/c1-15-9(12)8(10)7-3-5-11(6-4-7)16(2,13)14/h7-8H,3-6,10H2,1-2H3
InChIKeyKRSBPTZMBWOMFH-UHFFFAOYSA-N
XLogP-0.84
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylsulfonylpiperidin-4-yl)ethanamine
CID 63596040
methyl 2-[3-(1-aminoethyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 103976029
methyl 2-amino-2-(4-methylcyclohexyl)acetate
CID 64747912
methyl 2-amino-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetate
CID 166176346
N-[(1-methylsulfonylpiperidin-4-yl)methyl]ethanamine;hydrochloride
CID 119990361
2-fluoro-2-(1-methylsulfonylpiperidin-4-yl)acetic acid
CID 130490645
methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate
CID 71742057
2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)butanamide
CID 47460723
(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
CID 56865366
methyl 2-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpropanoate
CID 79031111
3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 106111386
methyl (2S)-2-amino-2-[4-(1,3-dioxolan-2-yl)cyclohexyl]acetate
CID 34178274

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate?
The IUPAC name of methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate (CID 130277693) is methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate is COC(=O)C(N)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate?
The InChIKey is KRSBPTZMBWOMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-15-9(12)8(10)7-3-5-11(6-4-7)16(2,13)14/h7-8H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate?
methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate has a molecular weight of 250.32 g/mol, XLogP of -0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(1-methylsulfonylpiperidin-4-yl)acetate is sourced from PubChem (CID 130277693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).