N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C11H23N3O3S — CID 71896149

IUPACN-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(C)C1CCN(C(=O)CN(C)S(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-12(2)10-5-7-14(8-6-10)11(15)9-13(3)18(4,16)17/h10H,5-9H2,1-4H3
InChIKeyNTADJDHPCWXHBK-UHFFFAOYSA-N
MW277.39 g/mol
LogP-0.57
Rot. Bonds4

About N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 71896149) has the molecular formula C11H23N3O3S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID71896149
Molecular FormulaC11H23N3O3S
Molecular Weight277.39 g/mol
Exact Mass277.15
IUPAC NameN-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(C)C1CCN(C(=O)CN(C)S(C)(=O)=O)CC1
InChIInChI=1S/C11H23N3O3S/c1-12(2)10-5-7-14(8-6-10)11(15)9-13(3)18(4,16)17/h10H,5-9H2,1-4H3
InChIKeyNTADJDHPCWXHBK-UHFFFAOYSA-N
XLogP-0.57
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 71896149) is N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is CN(C)C1CCN(C(=O)CN(C)S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is NTADJDHPCWXHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3S/c1-12(2)10-5-7-14(8-6-10)11(15)9-13(3)18(4,16)17/h10H,5-9H2,1-4H3.
What are the key properties of N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 277.39 g/mol, XLogP of -0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 71896149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).