(4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C18H26N2O2S — CID 97375290

IUPAC(4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC1CC1)[C@@H]1CN(Cc2cccs2)CC12CCOCC2
InChIInChI=1S/C18H26N2O2S/c21-17(19-10-14-3-4-14)16-12-20(11-15-2-1-9-23-15)13-18(16)5-7-22-8-6-18/h1-2,9,14,16H,3-8,10-13H2,(H,19,21)/t16-/m0/s1
InChIKeyLTCICUIAGVCCTE-INIZCTEOSA-N
MW334.49 g/mol
LogP2.50
Rot. Bonds5

About (4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

(4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 97375290) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is (4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID97375290
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name(4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC1CC1)[C@@H]1CN(Cc2cccs2)CC12CCOCC2
InChIInChI=1S/C18H26N2O2S/c21-17(19-10-14-3-4-14)16-12-20(11-15-2-1-9-23-15)13-18(16)5-7-22-8-6-18/h1-2,9,14,16H,3-8,10-13H2,(H,19,21)/t16-/m0/s1
InChIKeyLTCICUIAGVCCTE-INIZCTEOSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide with MolForge

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Related Compounds

(4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375300
morpholin-4-yl-[2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155829085
(4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 97375336
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
N-(cyclopropylmethyl)-2-(furan-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131649912
2-(5-methylfuran-2-carbonyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134078020
N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134077997
2-(4-methoxybenzoyl)-N-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134077654
N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155876734
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
2-[(3-methylthiophen-2-yl)methyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912735
(1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94819295

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 97375290) is (4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCC1CC1)[C@@H]1CN(Cc2cccs2)CC12CCOCC2.
What is the InChIKey of (4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is LTCICUIAGVCCTE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-17(19-10-14-3-4-14)16-12-20(11-15-2-1-9-23-15)13-18(16)5-7-22-8-6-18/h1-2,9,14,16H,3-8,10-13H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
(4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 97375290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).