(5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

C14H20N2OS — CID 97370835

IUPAC(5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CC[C@]2(CCCN(Cc3ccsc3)CC2)N1
InChIInChI=1S/C14H20N2OS/c17-13-2-5-14(15-13)4-1-7-16(8-6-14)10-12-3-9-18-11-12/h3,9,11H,1-2,4-8,10H2,(H,15,17)/t14-/m0/s1
InChIKeyHMSWASPJGMMJLA-AWEZNQCLSA-N
MW264.39 g/mol
LogP2.38
Rot. Bonds2

About (5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one

(5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97370835) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97370835
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1CC[C@]2(CCCN(Cc3ccsc3)CC2)N1
InChIInChI=1S/C14H20N2OS/c17-13-2-5-14(15-13)4-1-7-16(8-6-14)10-12-3-9-18-11-12/h3,9,11H,1-2,4-8,10H2,(H,15,17)/t14-/m0/s1
InChIKeyHMSWASPJGMMJLA-AWEZNQCLSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155833216
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
8-[(3,4-dichlorophenyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 166265632
7-benzyl-1,7-diazaspiro[4.4]nonan-2-one
CID 83823846
9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155854009
10-(2-thiophen-3-ylethyl)-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 64882632
1-pyrimidin-2-yl-7-(thiophen-3-ylmethyl)-1,7-diazaspiro[3.5]nonane
CID 97399235
1-methyl-4-phenyl-8-(thiophen-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653046
(6S)-2-(3-hydroxypropyl)-8-(thiophen-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578434
CID 134792088
CID 134792088
8-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155845816
(5S)-6-ethyl-2-(thiophen-3-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373760

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 97370835) is (5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is O=C1CC[C@]2(CCCN(Cc3ccsc3)CC2)N1.
What is the InChIKey of (5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is HMSWASPJGMMJLA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20N2OS/c17-13-2-5-14(15-13)4-1-7-16(8-6-14)10-12-3-9-18-11-12/h3,9,11H,1-2,4-8,10H2,(H,15,17)/t14-/m0/s1.
What are the key properties of (5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one?
(5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 264.39 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(thiophen-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97370835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).