6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide

C11H21N3O4S — CID 47417132

IUPAC6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C11H21N3O4S/c1-8-4-5-9(11(12)16)6-14(8)10(15)7-13(2)19(3,17)18/h8-9H,4-7H2,1-3H3,(H2,12,16)
InChIKeyTXGYMNBKJJAXCI-UHFFFAOYSA-N
MW291.37 g/mol
LogP-1.01
Rot. Bonds4

About 6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide

6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide (PubChem CID 47417132) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is 6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide
PubChem CID47417132
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)CN(C)S(C)(=O)=O
InChIInChI=1S/C11H21N3O4S/c1-8-4-5-9(11(12)16)6-14(8)10(15)7-13(2)19(3,17)18/h8-9H,4-7H2,1-3H3,(H2,12,16)
InChIKeyTXGYMNBKJJAXCI-UHFFFAOYSA-N
XLogP-1.01
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide (CID 47417132) is 6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)CN(C)S(C)(=O)=O.
What is the InChIKey of 6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide?
The InChIKey is TXGYMNBKJJAXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-8-4-5-9(11(12)16)6-14(8)10(15)7-13(2)19(3,17)18/h8-9H,4-7H2,1-3H3,(H2,12,16).
What are the key properties of 6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide?
6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide has a molecular weight of 291.37 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 47417132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).