N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide

C9H16N2OS — CID 130306506

IUPACN-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCC(S)NC(=O)N1CCC2(CC2)C1
InChIInChI=1S/C9H16N2OS/c1-7(13)10-8(12)11-5-4-9(6-11)2-3-9/h7,13H,2-6H2,1H3,(H,10,12)
InChIKeyKMYVMUKBBYDCCO-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.46
Rot. Bonds1

About N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide

N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 130306506) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound NameN-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID130306506
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCC(S)NC(=O)N1CCC2(CC2)C1
InChIInChI=1S/C9H16N2OS/c1-7(13)10-8(12)11-5-4-9(6-11)2-3-9/h7,13H,2-6H2,1H3,(H,10,12)
InChIKeyKMYVMUKBBYDCCO-UHFFFAOYSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193846
N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 135200114
N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide
CID 130856026
N-propan-2-yl-7-sulfanyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 134510563
3,3-difluoro-N-propan-2-ylpyrrolidine-1-carboxamide
CID 118330204
2-(2-azaspiro[4.4]nonane-2-carbonylamino)-3-hydroxypropanoic acid
CID 114279424
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238
1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one
CID 130516375
1-(2-azaspiro[4.5]decan-2-yl)-2-chloropropan-1-one
CID 130164939
1-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
2-amino-1-(6-azaspiro[3.4]octan-6-yl)-3-methylbutan-1-one
CID 119326633
2-methylpropyl 5-azaspiro[2.4]heptane-5-carboxylate
CID 130256154

Frequently Asked Questions

What is the IUPAC name of N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide (CID 130306506) is N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide is CC(S)NC(=O)N1CCC2(CC2)C1.
What is the InChIKey of N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is KMYVMUKBBYDCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-7(13)10-8(12)11-5-4-9(6-11)2-3-9/h7,13H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide?
N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 200.31 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 130306506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).