1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride

C17H27Cl2N3OS — CID 119869772

IUPAC1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2cccc(CN3CCSCC3)c2)CCCC1
InChIInChI=1S/C17H25N3OS.2ClH/c18-17(6-1-2-7-17)16(21)19-15-5-3-4-14(12-15)13-20-8-10-22-11-9-20;;/h3-5,12H,1-2,6-11,13,18H2,(H,19,21);2*1H
InChIKeyVRNBMYZKXIDBJX-UHFFFAOYSA-N
MW392.40 g/mol
LogP3.29
Rot. Bonds4

About 1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride

1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride (PubChem CID 119869772) has the molecular formula C17H27Cl2N3OS and a molecular weight of 392.40 g/mol. Its IUPAC name is 1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
PubChem CID119869772
Molecular FormulaC17H27Cl2N3OS
Molecular Weight392.40 g/mol
Exact Mass391.13
IUPAC Name1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)Nc2cccc(CN3CCSCC3)c2)CCCC1
InChIInChI=1S/C17H25N3OS.2ClH/c18-17(6-1-2-7-17)16(21)19-15-5-3-4-14(12-15)13-20-8-10-22-11-9-20;;/h3-5,12H,1-2,6-11,13,18H2,(H,19,21);2*1H
InChIKeyVRNBMYZKXIDBJX-UHFFFAOYSA-N
XLogP3.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 119869757
4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645739
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119308070
1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119327475
1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741
1-amino-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119870109
1-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119870422
(E)-3-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 10830868
methyl 2-[[3-[(1-aminocyclopentanecarbonyl)amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119318856
1-amino-N-[3-(sulfamoylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119308071
1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306290
1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857471

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride (CID 119869772) is 1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)Nc2cccc(CN3CCSCC3)c2)CCCC1.
What is the InChIKey of 1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
The InChIKey is VRNBMYZKXIDBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS.2ClH/c18-17(6-1-2-7-17)16(21)19-15-5-3-4-14(12-15)13-20-8-10-22-11-9-20;;/h3-5,12H,1-2,6-11,13,18H2,(H,19,21);2*1H.
What are the key properties of 1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride?
1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride has a molecular weight of 392.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(thiomorpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119869772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).