N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine

C16H28N4O2S — CID 97373039

IUPACN,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
SMILESCN(C)CCN1CCOC[C@@]2(C1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C16H28N4O2S/c1-18(2)4-5-19-6-8-21-14-16(12-19)13-20(7-9-22-16)11-15-17-3-10-23-15/h3,10H,4-9,11-14H2,1-2H3/t16-/m1/s1
InChIKeyHBFOALUOMROWGV-MRXNPFEDSA-N
MW340.49 g/mol
LogP0.61
Rot. Bonds5

About N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine

N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine (PubChem CID 97373039) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
PubChem CID97373039
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine
SMILESCN(C)CCN1CCOC[C@@]2(C1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C16H28N4O2S/c1-18(2)4-5-19-6-8-21-14-16(12-19)13-20(7-9-22-16)11-15-17-3-10-23-15/h3,10H,4-9,11-14H2,1-2H3/t16-/m1/s1
InChIKeyHBFOALUOMROWGV-MRXNPFEDSA-N
XLogP0.61
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine (CID 97373039) is N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-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-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine is CN(C)CCN1CCOC[C@@]2(C1)CN(Cc1nccs1)CCO2.
What is the InChIKey of N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine?
The InChIKey is HBFOALUOMROWGV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-18(2)4-5-19-6-8-21-14-16(12-19)13-20(7-9-22-16)11-15-17-3-10-23-15/h3,10H,4-9,11-14H2,1-2H3/t16-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine?
N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine has a molecular weight of 340.49 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(6R)-4-(1,3-thiazol-2-ylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanamine is sourced from PubChem (CID 97373039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).