N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide

C16H22N2O2S — CID 138030840

IUPACN-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccsc1)N1CCOCC2(CCC2)C1
InChIInChI=1S/C16H22N2O2S/c19-15(17-14-8-13(14)12-2-7-21-9-12)18-5-6-20-11-16(10-18)3-1-4-16/h2,7,9,13-14H,1,3-6,8,10-11H2,(H,17,19)/t13-,14+/m0/s1
InChIKeyRZNYZVZKUFYETF-UONOGXRCSA-N
MW306.43 g/mol
LogP2.82
Rot. Bonds2

About N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide

N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide (PubChem CID 138030840) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
PubChem CID138030840
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
SMILESO=C(N[C@@H]1C[C@H]1c1ccsc1)N1CCOCC2(CCC2)C1
InChIInChI=1S/C16H22N2O2S/c19-15(17-14-8-13(14)12-2-7-21-9-12)18-5-6-20-11-16(10-18)3-1-4-16/h2,7,9,13-14H,1,3-6,8,10-11H2,(H,17,19)/t13-,14+/m0/s1
InChIKeyRZNYZVZKUFYETF-UONOGXRCSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-N-[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99107522
N-[(1R,2S)-2-phenylcyclopropyl]-8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 74227488
N-(2-methylcyclopentyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 127830794
N-(oxan-4-yl)-3-thiophen-3-ylpyrrolidine-1-carboxamide
CID 131702845
N-(3-cyclohexyl-1-methylpyrazol-4-yl)-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
CID 128636882
N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 84600448
1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
CID 97494464
N-[(2S,4S)-2-cyclopropyloxan-4-yl]-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 99714220
N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131644499
N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-3-hydroxy-3-methylpyrrolidine-1-carboxamide
CID 136581608
N-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide
CID 128687065
N-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-7-oxa-10-azaspiro[4.6]undecane-10-carboxamide
CID 138006458

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide?
The IUPAC name of N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide (CID 138030840) is N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide is O=C(N[C@@H]1C[C@H]1c1ccsc1)N1CCOCC2(CCC2)C1.
What is the InChIKey of N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide?
The InChIKey is RZNYZVZKUFYETF-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22N2O2S/c19-15(17-14-8-13(14)12-2-7-21-9-12)18-5-6-20-11-16(10-18)3-1-4-16/h2,7,9,13-14H,1,3-6,8,10-11H2,(H,17,19)/t13-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide?
N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-thiophen-3-ylcyclopropyl]-6-oxa-9-azaspiro[3.6]decane-9-carboxamide is sourced from PubChem (CID 138030840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).