(3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone

C17H24N2OS — CID 119788984

IUPAC(3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone
SMILESCc1ccc(C2CSCCN2C(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C17H24N2OS/c1-12-2-4-13(5-3-12)16-11-21-9-8-19(16)17(20)14-6-7-15(18)10-14/h2-5,14-16H,6-11,18H2,1H3
InChIKeyUKUQRTDKCULVNB-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.74
Rot. Bonds2

About (3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone

(3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone (PubChem CID 119788984) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone
PubChem CID119788984
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name(3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone
SMILESCc1ccc(C2CSCCN2C(=O)C2CCC(N)C2)cc1
InChIInChI=1S/C17H24N2OS/c1-12-2-4-13(5-3-12)16-11-21-9-8-19(16)17(20)14-6-7-15(18)10-14/h2-5,14-16H,6-11,18H2,1H3
InChIKeyUKUQRTDKCULVNB-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclopentyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 119785073
(3-aminocyclohexyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119785074
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone;hydrochloride
CID 120793631
N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide
CID 111422860
2-[4-(3-aminocyclopentanecarbonyl)thiomorpholin-3-yl]acetic acid
CID 66445748
2-[3-(4-methylphenyl)thiomorpholin-4-yl]acetic acid
CID 119135595
(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119698902
[3-(4-chlorophenyl)thiomorpholin-4-yl]-piperidin-4-ylmethanone
CID 119329037
(3-aminocyclopentyl)-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]methanone;hydrochloride
CID 119771492
(3-aminocyclohexyl)-[3-methyl-2-(4-methylphenyl)piperidin-1-yl]methanone;hydrochloride
CID 119796649
N-(2-bromo-4-methylphenyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide
CID 167970093
(3-aminocyclopentyl)-(4-methylphenyl)methanone
CID 116587095

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone?
The IUPAC name of (3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone (CID 119788984) is (3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone.
What is the SMILES notation for (3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone?
The canonical SMILES for (3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone is Cc1ccc(C2CSCCN2C(=O)C2CCC(N)C2)cc1.
What is the InChIKey of (3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone?
The InChIKey is UKUQRTDKCULVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12-2-4-13(5-3-12)16-11-21-9-8-19(16)17(20)14-6-7-15(18)10-14/h2-5,14-16H,6-11,18H2,1H3.
What are the key properties of (3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone?
(3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone has a molecular weight of 304.46 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone is sourced from PubChem (CID 119788984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).