N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

C19H29ClN2OS — CID 119935635

IUPACN-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(C)c1ccc(CN(C(=O)CC2CSCCN2)C2CC2)cc1.Cl
InChIInChI=1S/C19H28N2OS.ClH/c1-14(2)16-5-3-15(4-6-16)12-21(18-7-8-18)19(22)11-17-13-23-10-9-20-17;/h3-6,14,17-18,20H,7-13H2,1-2H3;1H
InChIKeyYBRPJUYGOOMBKL-UHFFFAOYSA-N
MW368.97 g/mol
LogP3.82
Rot. Bonds6

About N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride

N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119935635) has the molecular formula C19H29ClN2OS and a molecular weight of 368.97 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119935635
Molecular FormulaC19H29ClN2OS
Molecular Weight368.97 g/mol
Exact Mass368.17
IUPAC NameN-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCC(C)c1ccc(CN(C(=O)CC2CSCCN2)C2CC2)cc1.Cl
InChIInChI=1S/C19H28N2OS.ClH/c1-14(2)16-5-3-15(4-6-16)12-21(18-7-8-18)19(22)11-17-13-23-10-9-20-17;/h3-6,14,17-18,20H,7-13H2,1-2H3;1H
InChIKeyYBRPJUYGOOMBKL-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.97
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119935635) is N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is CC(C)c1ccc(CN(C(=O)CC2CSCCN2)C2CC2)cc1.Cl.
What is the InChIKey of N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is YBRPJUYGOOMBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2OS.ClH/c1-14(2)16-5-3-15(4-6-16)12-21(18-7-8-18)19(22)11-17-13-23-10-9-20-17;/h3-6,14,17-18,20H,7-13H2,1-2H3;1H.
What are the key properties of N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 368.97 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119935635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).