3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide

C18H27N3OS — CID 128994548

IUPAC3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
SMILESNC(CC(=O)N(Cc1ccsc1)C1CC12CCNCC2)C1CC1
InChIInChI=1S/C18H27N3OS/c19-15(14-1-2-14)9-17(22)21(11-13-3-8-23-12-13)16-10-18(16)4-6-20-7-5-18/h3,8,12,14-16,20H,1-2,4-7,9-11,19H2
InChIKeyQUBCQQIWLMZBMK-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.35
Rot. Bonds6

About 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide

3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 128994548) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
PubChem CID128994548
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC Name3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
SMILESNC(CC(=O)N(Cc1ccsc1)C1CC12CCNCC2)C1CC1
InChIInChI=1S/C18H27N3OS/c19-15(14-1-2-14)9-17(22)21(11-13-3-8-23-12-13)16-10-18(16)4-6-20-7-5-18/h3,8,12,14-16,20H,1-2,4-7,9-11,19H2
InChIKeyQUBCQQIWLMZBMK-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 129338999
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
CID 129475653
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 129465975
cis-(1R,2S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-cyclopropyl-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
CID 129465946
N-(6-azaspiro[2.5]octan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 129008141
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide;hydrochloride
CID 128990570
(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide
CID 129344233
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-3-pyridin-2-yl-N-(thiophen-3-ylmethyl)propanamide
CID 129466575
N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 128993528
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 129001221
N-(6-azaspiro[2.5]octan-2-yl)-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 128994657
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 99778402

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide (CID 128994548) is 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide is NC(CC(=O)N(Cc1ccsc1)C1CC12CCNCC2)C1CC1.
What is the InChIKey of 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is QUBCQQIWLMZBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c19-15(14-1-2-14)9-17(22)21(11-13-3-8-23-12-13)16-10-18(16)4-6-20-7-5-18/h3,8,12,14-16,20H,1-2,4-7,9-11,19H2.
What are the key properties of 3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide?
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 333.50 g/mol, XLogP of 2.35, 6 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)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 128994548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).