6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane

C17H27ClN2S — CID 64848575

IUPAC6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CC1CN(Cc2ccc(Cl)s2)C2(CCCC2)CN1
InChIInChI=1S/C17H27ClN2S/c1-13(2)9-14-10-20(11-15-5-6-16(18)21-15)17(12-19-14)7-3-4-8-17/h5-6,13-14,19H,3-4,7-12H2,1-2H3
InChIKeyUFUFSZFIDSUYHF-UHFFFAOYSA-N
MW326.94 g/mol
LogP4.53
Rot. Bonds4

About 6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane

6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64848575) has the molecular formula C17H27ClN2S and a molecular weight of 326.94 g/mol. Its IUPAC name is 6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
PubChem CID64848575
Molecular FormulaC17H27ClN2S
Molecular Weight326.94 g/mol
Exact Mass326.16
IUPAC Name6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
SMILESCC(C)CC1CN(Cc2ccc(Cl)s2)C2(CCCC2)CN1
InChIInChI=1S/C17H27ClN2S/c1-13(2)9-14-10-20(11-15-5-6-16(18)21-15)17(12-19-14)7-3-4-8-17/h5-6,13-14,19H,3-4,7-12H2,1-2H3
InChIKeyUFUFSZFIDSUYHF-UHFFFAOYSA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.94
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-2-methyl-5-(2-methylpropyl)piperazine
CID 64847233
6-benzyl-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane
CID 64848189
6-[(5-bromothiophen-2-yl)methyl]-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64840241
1-[(5-chlorothiophen-2-yl)methyl]-5-ethyl-2,2-dimethylpiperazine
CID 64841778
6-[(5-bromothiophen-2-yl)methyl]-8-methyl-6,9-diazaspiro[4.5]decane
CID 64845142
3-(2-methylpropyl)-1-propyl-1,4-diazaspiro[5.5]undecane
CID 64849927
1-butyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64848961
8-(2-methylpropyl)-6-pentyl-6,9-diazaspiro[4.5]decane
CID 64847996
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine
CID 64847871
1-hexyl-3-(2-methylpropyl)-1,4-diazaspiro[5.5]undecane
CID 64850121
1-[(5-chlorothiophen-2-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838073
3-(2-methylpropyl)-1-(oxolan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane
CID 64849737

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane (CID 64848575) is 6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane is CC(C)CC1CN(Cc2ccc(Cl)s2)C2(CCCC2)CN1.
What is the InChIKey of 6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is UFUFSZFIDSUYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2S/c1-13(2)9-14-10-20(11-15-5-6-16(18)21-15)17(12-19-14)7-3-4-8-17/h5-6,13-14,19H,3-4,7-12H2,1-2H3.
What are the key properties of 6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane?
6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 326.94 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chlorothiophen-2-yl)methyl]-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64848575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).