N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

C14H25N3O2S — CID 811471

IUPACN-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)SCCN2C(=O)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-4-15-13(19)16-7-5-14(6-8-16)17(9-10-20-14)12(18)11(2)3/h11H,4-10H2,1-3H3,(H,15,19)
InChIKeyIBKMBSBCZMKDPD-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.74
Rot. Bonds2

About N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 811471) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID811471
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCCNC(=O)N1CCC2(CC1)SCCN2C(=O)C(C)C
InChIInChI=1S/C14H25N3O2S/c1-4-15-13(19)16-7-5-14(6-8-16)17(9-10-20-14)12(18)11(2)3/h11H,4-10H2,1-3H3,(H,15,19)
InChIKeyIBKMBSBCZMKDPD-UHFFFAOYSA-N
XLogP1.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide (CID 811471) is N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is CCNC(=O)N1CCC2(CC1)SCCN2C(=O)C(C)C.
What is the InChIKey of N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is IBKMBSBCZMKDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-4-15-13(19)16-7-5-14(6-8-16)17(9-10-20-14)12(18)11(2)3/h11H,4-10H2,1-3H3,(H,15,19).
What are the key properties of N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide?
N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 811471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).