N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide

C14H25N3OS — CID 135200114

IUPACN-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCC(S)N1CCC(NC(=O)N2CCC3(CC3)C2)CC1
InChIInChI=1S/C14H25N3OS/c1-11(19)16-7-2-12(3-8-16)15-13(18)17-9-6-14(10-17)4-5-14/h11-12,19H,2-10H2,1H3,(H,15,18)
InChIKeySVEJUQOINVERGJ-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.92
Rot. Bonds2

About N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide

N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 135200114) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID135200114
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC NameN-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESCC(S)N1CCC(NC(=O)N2CCC3(CC3)C2)CC1
InChIInChI=1S/C14H25N3OS/c1-11(19)16-7-2-12(3-8-16)15-13(18)17-9-6-14(10-17)4-5-14/h11-12,19H,2-10H2,1H3,(H,15,18)
InChIKeySVEJUQOINVERGJ-UHFFFAOYSA-N
XLogP1.92
TPSA35.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(1-sulfanylethyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 130306506
N-[(1S)-1-fluoroethyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 170193846
1-[(1-methylpiperidin-4-yl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983691
(4S)-N-cyclopentyl-4-hydroxy-3,3,4-trimethylpiperidine-1-carboxamide
CID 72870335
4-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 162725913
N-cyclopentyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605548
1-[(4-hydroxycyclohexyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983643
N-ethyl-5-azaspiro[2.4]heptane-5-carboxamide
CID 130856026
1-(oxan-4-ylcarbamoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983725
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
N-cyclopropyl-4-hydroxy-4-methylazepane-1-carboxamide
CID 107404102
4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 127236629

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide (CID 135200114) is N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide is CC(S)N1CCC(NC(=O)N2CCC3(CC3)C2)CC1.
What is the InChIKey of N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is SVEJUQOINVERGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-11(19)16-7-2-12(3-8-16)15-13(18)17-9-6-14(10-17)4-5-14/h11-12,19H,2-10H2,1H3,(H,15,18).
What are the key properties of N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide?
N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 283.44 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-sulfanylethyl)piperidin-4-yl]-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 135200114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).