[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone

C15H20N2OS — CID 134074079

IUPAC[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC2(CCN2CC2CC2)C1
InChIInChI=1S/C15H20N2OS/c18-14(13-2-1-9-19-13)16-7-5-15(11-16)6-8-17(15)10-12-3-4-12/h1-2,9,12H,3-8,10-11H2
InChIKeyWXWHYYXMSDOSEU-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.45
Rot. Bonds3

About [1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone

[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone (PubChem CID 134074079) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone
PubChem CID134074079
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC2(CCN2CC2CC2)C1
InChIInChI=1S/C15H20N2OS/c18-14(13-2-1-9-19-13)16-7-5-15(11-16)6-8-17(15)10-12-3-4-12/h1-2,9,12H,3-8,10-11H2
InChIKeyWXWHYYXMSDOSEU-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 122269158
3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731719
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642
[4-(aminomethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 28706738
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
CID 131687415
2-methoxy-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97370699
[4a-(cyclopropylmethoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-thiophen-2-ylmethanone
CID 131653522
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
(5S)-6-acetyl-9-phenyl-2-(thiophene-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373429
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
[3-(2-chloroethyl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 114801038

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone (CID 134074079) is [1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC2(CCN2CC2CC2)C1.
What is the InChIKey of [1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone?
The InChIKey is WXWHYYXMSDOSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-14(13-2-1-9-19-13)16-7-5-15(11-16)6-8-17(15)10-12-3-4-12/h1-2,9,12H,3-8,10-11H2.
What are the key properties of [1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone?
[1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone has a molecular weight of 276.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-1,7-diazaspiro[3.4]octan-7-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 134074079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).