N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine

C19H28N4OS — CID 126776149

IUPACN,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine
SMILESCN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)CC1(N(C)C)CCC1
InChIInChI=1S/C19H28N4OS/c1-22(2)19(9-6-10-19)13-23(3)12-17-20-21-18(24-17)16-11-14-7-4-5-8-15(14)25-16/h11H,4-10,12-13H2,1-3H3
InChIKeyLSGGJGJCUQNTQJ-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.59
Rot. Bonds6

About N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine

N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine (PubChem CID 126776149) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine
PubChem CID126776149
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC NameN,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine
SMILESCN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)CC1(N(C)C)CCC1
InChIInChI=1S/C19H28N4OS/c1-22(2)19(9-6-10-19)13-23(3)12-17-20-21-18(24-17)16-11-14-7-4-5-8-15(14)25-16/h11H,4-10,12-13H2,1-3H3
InChIKeyLSGGJGJCUQNTQJ-UHFFFAOYSA-N
XLogP3.59
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine (CID 126776149) is N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine is CN(Cc1nnc(-c2cc3c(s2)CCCC3)o1)CC1(N(C)C)CCC1.
What is the InChIKey of N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine?
The InChIKey is LSGGJGJCUQNTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-22(2)19(9-6-10-19)13-23(3)12-17-20-21-18(24-17)16-11-14-7-4-5-8-15(14)25-16/h11H,4-10,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine has a molecular weight of 360.53 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[methyl-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]amino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 126776149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).