3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide

C14H21ClN2O3S — CID 94477615

IUPAC3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide
SMILESC[C@H](c1ccccc1Cl)N(C)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(12-5-3-4-6-13(12)15)17(2)8-10-21(19,20)9-7-14(16)18/h3-6,11H,7-10H2,1-2H3,(H2,16,18)/t11-/m1/s1
InChIKeyJRQQVTULIQDINJ-LLVKDONJSA-N
MW332.85 g/mol
LogP1.62
Rot. Bonds8

About 3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide

3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide (PubChem CID 94477615) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide
PubChem CID94477615
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide
SMILESC[C@H](c1ccccc1Cl)N(C)CCS(=O)(=O)CCC(N)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(12-5-3-4-6-13(12)15)17(2)8-10-21(19,20)9-7-14(16)18/h3-6,11H,7-10H2,1-2H3,(H2,16,18)/t11-/m1/s1
InChIKeyJRQQVTULIQDINJ-LLVKDONJSA-N
XLogP1.62
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984501
N-(2-bromoethyl)-1-(2-chlorophenyl)-N-methylethanamine
CID 62984503
6-[1-(2-chlorophenyl)ethyl-methylamino]hexan-1-ol
CID 113251904
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
CID 62980408
4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide
CID 66427548
1-N-[1-(2-chlorophenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 62985590
N'-[1-(2-chlorophenyl)ethyl]-N',2,2-trimethylhexane-1,6-diamine
CID 106708082
1-[1-(2-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62978499
N'-[1-(2-chlorophenyl)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 62985212
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-methyl-N-phenylacetamide
CID 60505511
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide (CID 94477615) is 3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide is C[C@H](c1ccccc1Cl)N(C)CCS(=O)(=O)CCC(N)=O.
What is the InChIKey of 3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide?
The InChIKey is JRQQVTULIQDINJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-11(12-5-3-4-6-13(12)15)17(2)8-10-21(19,20)9-7-14(16)18/h3-6,11H,7-10H2,1-2H3,(H2,16,18)/t11-/m1/s1.
What are the key properties of 3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide?
3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide has a molecular weight of 332.85 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-methylamino]ethylsulfonyl]propanamide is sourced from PubChem (CID 94477615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).