N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C19H26N2O3S — CID 118739809

IUPACN-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccsc1C(=O)N1CC(C(=O)NCC2CC2)C2(CCOCC2)C1
InChIInChI=1S/C19H26N2O3S/c1-13-4-9-25-16(13)18(23)21-11-15(17(22)20-10-14-2-3-14)19(12-21)5-7-24-8-6-19/h4,9,14-15H,2-3,5-8,10-12H2,1H3,(H,20,22)
InChIKeyAWTJEVDBXKRZCL-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.45
Rot. Bonds4

About N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 118739809) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID118739809
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC NameN-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccsc1C(=O)N1CC(C(=O)NCC2CC2)C2(CCOCC2)C1
InChIInChI=1S/C19H26N2O3S/c1-13-4-9-25-16(13)18(23)21-11-15(17(22)20-10-14-2-3-14)19(12-21)5-7-24-8-6-19/h4,9,14-15H,2-3,5-8,10-12H2,1H3,(H,20,22)
InChIKeyAWTJEVDBXKRZCL-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 118739809) is N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccsc1C(=O)N1CC(C(=O)NCC2CC2)C2(CCOCC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is AWTJEVDBXKRZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-13-4-9-25-16(13)18(23)21-11-15(17(22)20-10-14-2-3-14)19(12-21)5-7-24-8-6-19/h4,9,14-15H,2-3,5-8,10-12H2,1H3,(H,20,22).
What are the key properties of N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3-methylthiophene-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 118739809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).