N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C18H29Cl2N3OS — CID 119869974

IUPACN-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCc1ccc(CN2CCSCC2)cc1NC(=O)CC1CCCN1.Cl.Cl
InChIInChI=1S/C18H27N3OS.2ClH/c1-14-4-5-15(13-21-7-9-23-10-8-21)11-17(14)20-18(22)12-16-3-2-6-19-16;;/h4-5,11,16,19H,2-3,6-10,12-13H2,1H3,(H,20,22);2*1H
InChIKeyWBMIRFXSFNZGPQ-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.47
Rot. Bonds5

About N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119869974) has the molecular formula C18H29Cl2N3OS and a molecular weight of 406.42 g/mol. Its IUPAC name is N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119869974
Molecular FormulaC18H29Cl2N3OS
Molecular Weight406.42 g/mol
Exact Mass405.14
IUPAC NameN-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCc1ccc(CN2CCSCC2)cc1NC(=O)CC1CCCN1.Cl.Cl
InChIInChI=1S/C18H27N3OS.2ClH/c1-14-4-5-15(13-21-7-9-23-10-8-21)11-17(14)20-18(22)12-16-3-2-6-19-16;;/h4-5,11,16,19H,2-3,6-10,12-13H2,1H3,(H,20,22);2*1H
InChIKeyWBMIRFXSFNZGPQ-UHFFFAOYSA-N
XLogP3.47
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119890419
2-pyrrolidin-2-yl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869806
N,N,4-trimethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119719098
4-amino-N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 119869979
2-pyrrolidin-2-yl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61365999
2-(cyclopropylmethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119869911
2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61366397
N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119795362
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide
CID 119725877
2-(2-methoxyethylamino)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119869930
N-(3-methyl-4-pyridinyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119876328

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119869974) is N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cc1ccc(CN2CCSCC2)cc1NC(=O)CC1CCCN1.Cl.Cl.
What is the InChIKey of N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is WBMIRFXSFNZGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS.2ClH/c1-14-4-5-15(13-21-7-9-23-10-8-21)11-17(14)20-18(22)12-16-3-2-6-19-16;;/h4-5,11,16,19H,2-3,6-10,12-13H2,1H3,(H,20,22);2*1H.
What are the key properties of N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 406.42 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(thiomorpholin-4-ylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119869974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).