N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C19H28ClN3O2S — CID 119940149

IUPACN-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C19H27N3O2S.ClH/c23-18(12-17-14-25-11-9-20-17)21-16-8-10-22(13-16)19(24)7-6-15-4-2-1-3-5-15;/h1-5,16-17,20H,6-14H2,(H,21,23);1H
InChIKeyDHPUWZCARFGBKQ-UHFFFAOYSA-N
MW397.97 g/mol
LogP1.85
Rot. Bonds6

About N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119940149) has the molecular formula C19H28ClN3O2S and a molecular weight of 397.97 g/mol. Its IUPAC name is N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119940149
Molecular FormulaC19H28ClN3O2S
Molecular Weight397.97 g/mol
Exact Mass397.16
IUPAC NameN-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1CCN(C(=O)CCc2ccccc2)C1
InChIInChI=1S/C19H27N3O2S.ClH/c23-18(12-17-14-25-11-9-20-17)21-16-8-10-22(13-16)19(24)7-6-15-4-2-1-3-5-15;/h1-5,16-17,20H,6-14H2,(H,21,23);1H
InChIKeyDHPUWZCARFGBKQ-UHFFFAOYSA-N
XLogP1.85
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.97
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119940150
N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119940142
N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119935763
2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119339216
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942182
1-[3-(3-phenylpropoxy)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119940328
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119942283
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
7-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]heptanamide
CID 119810962
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942100
N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939490
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-(1,3-thiazol-5-yl)acetamide
CID 136534273

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119940149) is N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NC1CCN(C(=O)CCc2ccccc2)C1.
What is the InChIKey of N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is DHPUWZCARFGBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S.ClH/c23-18(12-17-14-25-11-9-20-17)21-16-8-10-22(13-16)19(24)7-6-15-4-2-1-3-5-15;/h1-5,16-17,20H,6-14H2,(H,21,23);1H.
What are the key properties of N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 397.97 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119940149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).