(5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C16H25N3O2S — CID 95873408

IUPAC(5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN(C)Cc1csc(CN2CCC[C@]3(C2)CN(C)C(=O)O3)c1
InChIInChI=1S/C16H25N3O2S/c1-17(2)8-13-7-14(22-10-13)9-19-6-4-5-16(12-19)11-18(3)15(20)21-16/h7,10H,4-6,8-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyYOUFHOOFGHZSLZ-MRXNPFEDSA-N
MW323.46 g/mol
LogP2.23
Rot. Bonds4

About (5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95873408) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is (5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95873408
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name(5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCN(C)Cc1csc(CN2CCC[C@]3(C2)CN(C)C(=O)O3)c1
InChIInChI=1S/C16H25N3O2S/c1-17(2)8-13-7-14(22-10-13)9-19-6-4-5-16(12-19)11-18(3)15(20)21-16/h7,10H,4-6,8-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyYOUFHOOFGHZSLZ-MRXNPFEDSA-N
XLogP2.23
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56900091
2-hydroxy-5-[[(5R)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl]methyl]benzoic acid
CID 95874333
3-methyl-9-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 74239736
3-methyl-9-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77082111
(5R)-9-[[2-[3-(dimethylamino)propoxy]phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95896895
9-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 70783768
(5S)-9-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95897113
9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56899200
9-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56912030
N-benzyl-N-methyl-3-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)propanamide
CID 56910301
1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine
CID 74251551
3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56886578

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95873408) is (5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CN(C)Cc1csc(CN2CCC[C@]3(C2)CN(C)C(=O)O3)c1.
What is the InChIKey of (5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is YOUFHOOFGHZSLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-17(2)8-13-7-14(22-10-13)9-19-6-4-5-16(12-19)11-18(3)15(20)21-16/h7,10H,4-6,8-9,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 323.46 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95873408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).