N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine

C17H29N3O2S — CID 97373035

IUPACN,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
SMILESCN(C)CCN1CCOC[C@@]2(C1)CN(Cc1cccs1)CCO2
InChIInChI=1S/C17H29N3O2S/c1-18(2)5-6-19-7-9-21-15-17(13-19)14-20(8-10-22-17)12-16-4-3-11-23-16/h3-4,11H,5-10,12-15H2,1-2H3/t17-/m1/s1
InChIKeyUXOVFFIUPNLMJI-QGZVFWFLSA-N
MW339.50 g/mol
LogP1.21
Rot. Bonds5

About N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine

N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine (PubChem CID 97373035) has the molecular formula C17H29N3O2S and a molecular weight of 339.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
PubChem CID97373035
Molecular FormulaC17H29N3O2S
Molecular Weight339.50 g/mol
Exact Mass339.20
IUPAC NameN,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
SMILESCN(C)CCN1CCOC[C@@]2(C1)CN(Cc1cccs1)CCO2
InChIInChI=1S/C17H29N3O2S/c1-18(2)5-6-19-7-9-21-15-17(13-19)14-20(8-10-22-17)12-16-4-3-11-23-16/h3-4,11H,5-10,12-15H2,1-2H3/t17-/m1/s1
InChIKeyUXOVFFIUPNLMJI-QGZVFWFLSA-N
XLogP1.21
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[4-(thiophen-3-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
CID 118747259
(6S)-8-methylsulfonyl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 97373129
8-methylsulfonyl-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155845848
4-benzyl-9-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372231
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
(5S)-2-pyrimidin-2-yl-10-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472314
N-methyl-N-[[7-(thiophen-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecan-3-yl]methyl]propan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155828898
9-(5-fluoropyrimidin-2-yl)-4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450776
10-[(1-methylpyrazol-4-yl)methyl]-2-(thiophen-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 131646488
(2S,5S)-2-(pyrazol-1-ylmethyl)-7-(thiophen-2-ylmethyl)-1,10-dioxa-7-azaspiro[4.6]undecane
CID 124910899
(4-methylcyclohexyl)-[4-(thiophen-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131690248
2-thiophen-2-yl-1-[4-(thiophen-2-ylmethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-10-yl]ethanone
CID 131669522

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine (CID 97373035) is N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine is CN(C)CCN1CCOC[C@@]2(C1)CN(Cc1cccs1)CCO2.
What is the InChIKey of N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine?
The InChIKey is UXOVFFIUPNLMJI-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-18(2)5-6-19-7-9-21-15-17(13-19)14-20(8-10-22-17)12-16-4-3-11-23-16/h3-4,11H,5-10,12-15H2,1-2H3/t17-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine?
N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine has a molecular weight of 339.50 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(6R)-4-(thiophen-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine is sourced from PubChem (CID 97373035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).