[8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone

C18H25FN2OS — CID 155879187

IUPAC[8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone
SMILESO=C(c1sccc1F)N1CCCC2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C18H25FN2OS/c19-15-5-10-23-16(15)17(22)21-9-2-7-18(13-21)6-1-8-20(12-18)11-14-3-4-14/h5,10,14H,1-4,6-9,11-13H2
InChIKeyRTPJWRRRRBBJNG-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.62
Rot. Bonds3

About [8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone

[8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone (PubChem CID 155879187) has the molecular formula C18H25FN2OS and a molecular weight of 336.48 g/mol. Its IUPAC name is [8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone
PubChem CID155879187
Molecular FormulaC18H25FN2OS
Molecular Weight336.48 g/mol
Exact Mass336.17
IUPAC Name[8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone
SMILESO=C(c1sccc1F)N1CCCC2(CCCN(CC3CC3)C2)C1
InChIInChI=1S/C18H25FN2OS/c19-15-5-10-23-16(15)17(22)21-9-2-7-18(13-21)6-1-8-20(12-18)11-14-3-4-14/h5,10,14H,1-4,6-9,11-13H2
InChIKeyRTPJWRRRRBBJNG-UHFFFAOYSA-N
XLogP3.62
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorothiophen-2-yl)-[8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155878144
[(3aS,8aR)-6-(cyclopentylmethyl)-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-2-yl]-(3-fluorothiophen-2-yl)methanone
CID 155877937
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(2-fluorophenyl)methanone
CID 131661872
cyclobutyl-[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42286380
[(5R)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
CID 42415530
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1H-indazol-3-yl)methanone
CID 42290626
[(6R)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(1,2-oxazol-5-yl)methanone
CID 97397894
1-[9-(oxan-4-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-2-thiophen-3-ylethanone
CID 118739157
9-(oxan-4-ylmethyl)-N-phenyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 131638814
8-(cyclopropylmethyl)-2-(3-methylthiophen-2-yl)sulfonyl-2,8-diazaspiro[5.5]undecane
CID 155877780
1-[(5R)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 97370532
1-[(6S)-11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-2-thiophen-3-ylethanone
CID 97494464

Frequently Asked Questions

What is the IUPAC name of [8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone?
The IUPAC name of [8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone (CID 155879187) is [8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone.
What is the SMILES notation for [8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone?
The canonical SMILES for [8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone is O=C(c1sccc1F)N1CCCC2(CCCN(CC3CC3)C2)C1.
What is the InChIKey of [8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone?
The InChIKey is RTPJWRRRRBBJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2OS/c19-15-5-10-23-16(15)17(22)21-9-2-7-18(13-21)6-1-8-20(12-18)11-14-3-4-14/h5,10,14H,1-4,6-9,11-13H2.
What are the key properties of [8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone?
[8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone has a molecular weight of 336.48 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclopropylmethyl)-2,8-diazaspiro[5.5]undecan-2-yl]-(3-fluorothiophen-2-yl)methanone is sourced from PubChem (CID 155879187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).