3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride

C19H30ClN3OS — CID 128990570

IUPAC3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)N(Cc2ccsc2)C2CC23CCNCC3)C1
InChIInChI=1S/C19H29N3OS.ClH/c20-16-3-1-2-15(10-16)18(23)22(12-14-4-9-24-13-14)17-11-19(17)5-7-21-8-6-19;/h4,9,13,15-17,21H,1-3,5-8,10-12,20H2;1H
InChIKeyCEKOVZDHXCWMPZ-UHFFFAOYSA-N
MW383.99 g/mol
LogP3.16
Rot. Bonds4

About 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride

3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 128990570) has the molecular formula C19H30ClN3OS and a molecular weight of 383.99 g/mol. Its IUPAC name is 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID128990570
Molecular FormulaC19H30ClN3OS
Molecular Weight383.99 g/mol
Exact Mass383.18
IUPAC Name3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)N(Cc2ccsc2)C2CC23CCNCC3)C1
InChIInChI=1S/C19H29N3OS.ClH/c20-16-3-1-2-15(10-16)18(23)22(12-14-4-9-24-13-14)17-11-19(17)5-7-21-8-6-19;/h4,9,13,15-17,21H,1-3,5-8,10-12,20H2;1H
InChIKeyCEKOVZDHXCWMPZ-UHFFFAOYSA-N
XLogP3.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.99
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-cyclopropyl-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
CID 129465946
(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide
CID 129344233
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 129001221
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 128994548
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 129465975
(2S)-2-amino-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 129338999
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 128994657
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 129473894
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 99778402
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,3-benzodioxole-4-carboxamide
CID 128992627
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2,5-dimethyl-N-(thiophen-3-ylmethyl)furan-3-carboxamide
CID 129466841
N-(6-azaspiro[2.5]octan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 129008141

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride (CID 128990570) is 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.NC1CCCC(C(=O)N(Cc2ccsc2)C2CC23CCNCC3)C1.
What is the InChIKey of 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is CEKOVZDHXCWMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS.ClH/c20-16-3-1-2-15(10-16)18(23)22(12-14-4-9-24-13-14)17-11-19(17)5-7-21-8-6-19;/h4,9,13,15-17,21H,1-3,5-8,10-12,20H2;1H.
What are the key properties of 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 383.99 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 128990570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).