[2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

C15H24N2OS — CID 91921711

IUPAC[2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCc1ccc(CN2CC(CO)C3(CCNCC3)C2)s1
InChIInChI=1S/C15H24N2OS/c1-12-2-3-14(19-12)9-17-8-13(10-18)15(11-17)4-6-16-7-5-15/h2-3,13,16,18H,4-11H2,1H3
InChIKeyMFOPPQNOJDGWNA-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.85
Rot. Bonds3

About [2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol

[2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921711) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is [2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921711
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC Name[2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCc1ccc(CN2CC(CO)C3(CCNCC3)C2)s1
InChIInChI=1S/C15H24N2OS/c1-12-2-3-14(19-12)9-17-8-13(10-18)15(11-17)4-6-16-7-5-15/h2-3,13,16,18H,4-11H2,1H3
InChIKeyMFOPPQNOJDGWNA-UHFFFAOYSA-N
XLogP1.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(4S)-2-benzyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99728174
(3S,4'R)-4'-(hydroxymethyl)-1'-[(5-methylthiophen-2-yl)methyl]spiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92559433
[2-[(3-bromo-5-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921719
[(4R)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 97375381
4-[(5-methylthiophen-2-yl)methyl]piperazine-2,6-dione
CID 63788380
(3R)-3-methyl-1-[(5-methylthiophen-2-yl)methyl]piperazine
CID 103885885
(3S)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-ol
CID 103882959
(4S)-N-(cyclopropylmethyl)-2-[(5-methylthiophen-2-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375300
4-(methoxymethyl)-2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 91910494
4-methyl-1-[(5-methylthiophen-2-yl)methyl]piperidine
CID 71220628
[3-methyl-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120781039
[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]-thiophen-3-ylmethanone
CID 91921686

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921711) is [2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is Cc1ccc(CN2CC(CO)C3(CCNCC3)C2)s1.
What is the InChIKey of [2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is MFOPPQNOJDGWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-12-2-3-14(19-12)9-17-8-13(10-18)15(11-17)4-6-16-7-5-15/h2-3,13,16,18H,4-11H2,1H3.
What are the key properties of [2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 280.44 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).