N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C18H24N2O3S — CID 118738819

IUPACN-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCC1CC1)C1CCC2(CCN(C(=O)c3cccs3)CC2)O1
InChIInChI=1S/C18H24N2O3S/c21-16(19-12-13-3-4-13)14-5-6-18(23-14)7-9-20(10-8-18)17(22)15-2-1-11-24-15/h1-2,11,13-14H,3-10,12H2,(H,19,21)
InChIKeyROHHIKVCYOYQHL-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.43
Rot. Bonds4

About N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 118738819) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID118738819
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCC1CC1)C1CCC2(CCN(C(=O)c3cccs3)CC2)O1
InChIInChI=1S/C18H24N2O3S/c21-16(19-12-13-3-4-13)14-5-6-18(23-14)7-9-20(10-8-18)17(22)15-2-1-11-24-15/h1-2,11,13-14H,3-10,12H2,(H,19,21)
InChIKeyROHHIKVCYOYQHL-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 118738819) is N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is O=C(NCC1CC1)C1CCC2(CCN(C(=O)c3cccs3)CC2)O1.
What is the InChIKey of N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is ROHHIKVCYOYQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-16(19-12-13-3-4-13)14-5-6-18(23-14)7-9-20(10-8-18)17(22)15-2-1-11-24-15/h1-2,11,13-14H,3-10,12H2,(H,19,21).
What are the key properties of N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 118738819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).