3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride

C15H22ClN3O2S — CID 119310619

IUPAC3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
SMILESCc1c(NC(=O)CCN)cccc1C(=O)N1CCSCC1.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-11-12(15(20)18-7-9-21-10-8-18)3-2-4-13(11)17-14(19)5-6-16;/h2-4H,5-10,16H2,1H3,(H,17,19);1H
InChIKeyFOGFOXICASEZDA-UHFFFAOYSA-N
MW343.88 g/mol
LogP1.89
Rot. Bonds4

About 3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride

3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride (PubChem CID 119310619) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
PubChem CID119310619
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
SMILESCc1c(NC(=O)CCN)cccc1C(=O)N1CCSCC1.Cl
InChIInChI=1S/C15H21N3O2S.ClH/c1-11-12(15(20)18-7-9-21-10-8-18)3-2-4-13(11)17-14(19)5-6-16;/h2-4H,5-10,16H2,1H3,(H,17,19);1H
InChIKeyFOGFOXICASEZDA-UHFFFAOYSA-N
XLogP1.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
3-amino-N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]propanamide;hydrochloride
CID 119278974
2-methyl-3-(methylamino)-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119761388
N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427451
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
(3-amino-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 28786513
3-amino-2-methyl-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]-3-phenylpropanamide
CID 119761379
trans-(1S,2S)-2-ethoxy-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 124628513
3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 111092466
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
(3-iodo-2-methylphenyl)-thiomorpholin-4-ylmethanone
CID 71918877
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521727

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride (CID 119310619) is 3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride is Cc1c(NC(=O)CCN)cccc1C(=O)N1CCSCC1.Cl.
What is the InChIKey of 3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride?
The InChIKey is FOGFOXICASEZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S.ClH/c1-11-12(15(20)18-7-9-21-10-8-18)3-2-4-13(11)17-14(19)5-6-16;/h2-4H,5-10,16H2,1H3,(H,17,19);1H.
What are the key properties of 3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride?
3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119310619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).