N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide

C16H31N3O3S — CID 71871949

IUPACN-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)NC1CCN(S(C)(=O)=O)CC1C
InChIInChI=1S/C16H31N3O3S/c1-7-18(10-12(2)3)16(20)14(5)17-15-8-9-19(11-13(15)4)23(6,21)22/h13-15,17H,2,7-11H2,1,3-6H3
InChIKeyCOSNXWPVMJZGPQ-UHFFFAOYSA-N
MW345.51 g/mol
LogP1.06
Rot. Bonds7

About N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide

N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide (PubChem CID 71871949) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide
PubChem CID71871949
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC NameN-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)C(C)NC1CCN(S(C)(=O)=O)CC1C
InChIInChI=1S/C16H31N3O3S/c1-7-18(10-12(2)3)16(20)14(5)17-15-8-9-19(11-13(15)4)23(6,21)22/h13-15,17H,2,7-11H2,1,3-6H3
InChIKeyCOSNXWPVMJZGPQ-UHFFFAOYSA-N
XLogP1.06
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]propanamide
CID 43628998
N,3-dimethyl-1-methylsulfonylpiperidin-4-amine
CID 114449186
N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 60660134
N,N-diethyl-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 115337064
1-cyclooctyl-3-(3-methyl-1-methylsulfonylpiperidin-4-yl)urea
CID 166225966
N,N-diethyl-2-[3-methyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114499097
2-[(2,6-dimethylcyclohexyl)amino]-N,N-diethylpropanamide
CID 43739395
N,N-diethyl-2-[4-(ethylamino)-3-methylpiperidin-1-yl]propanamide
CID 114499277
1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781591
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 24703589
2-(cyclopropylamino)-N,N-diethylpropanamide
CID 43113043
1,1-diethyl-3-(1-methylsulfonylpiperidin-3-yl)urea
CID 47765815

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide (CID 71871949) is N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide is C=C(C)CN(CC)C(=O)C(C)NC1CCN(S(C)(=O)=O)CC1C.
What is the InChIKey of N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is COSNXWPVMJZGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-7-18(10-12(2)3)16(20)14(5)17-15-8-9-19(11-13(15)4)23(6,21)22/h13-15,17H,2,7-11H2,1,3-6H3.
What are the key properties of N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide?
N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 345.51 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methyl-1-methylsulfonylpiperidin-4-yl)amino]-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 71871949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).