(2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide

C15H30N2O4S — CID 97085507

IUPAC(2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide
SMILESCOCCN1CCC(CNC(=O)[C@H](C)S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C15H30N2O4S/c1-12(2)22(19,20)13(3)15(18)16-11-14-5-7-17(8-6-14)9-10-21-4/h12-14H,5-11H2,1-4H3,(H,16,18)/t13-/m0/s1
InChIKeyACBHJWSDEZWALB-ZDUSSCGKSA-N
MW334.48 g/mol
LogP0.67
Rot. Bonds8

About (2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide

(2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 97085507) has the molecular formula C15H30N2O4S and a molecular weight of 334.48 g/mol. Its IUPAC name is (2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide
PubChem CID97085507
Molecular FormulaC15H30N2O4S
Molecular Weight334.48 g/mol
Exact Mass334.19
IUPAC Name(2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide
SMILESCOCCN1CCC(CNC(=O)[C@H](C)S(=O)(=O)C(C)C)CC1
InChIInChI=1S/C15H30N2O4S/c1-12(2)22(19,20)13(3)15(18)16-11-14-5-7-17(8-6-14)9-10-21-4/h12-14H,5-11H2,1-4H3,(H,16,18)/t13-/m0/s1
InChIKeyACBHJWSDEZWALB-ZDUSSCGKSA-N
XLogP0.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 97062875
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86948344
(2R)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 95161198
(2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 95161197
1-[2-[di(propan-2-yl)amino]ethyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111789337
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501
2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119898912
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 16887608
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]propanamide
CID 119862705

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of (2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide (CID 97085507) is (2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide is COCCN1CCC(CNC(=O)[C@H](C)S(=O)(=O)C(C)C)CC1.
What is the InChIKey of (2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is ACBHJWSDEZWALB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2O4S/c1-12(2)22(19,20)13(3)15(18)16-11-14-5-7-17(8-6-14)9-10-21-4/h12-14H,5-11H2,1-4H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide?
(2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 334.48 g/mol, XLogP of 0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 97085507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).