2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine

C13H23N3OS — CID 79862564

IUPAC2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1C(Sc2nnc(C)o2)CCC1(C)C
InChIInChI=1S/C13H23N3OS/c1-5-8-14-11-10(6-7-13(11,3)4)18-12-16-15-9(2)17-12/h10-11,14H,5-8H2,1-4H3
InChIKeyIVUXVHITDRUDKW-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.03
Rot. Bonds5

About 2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine

2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine (PubChem CID 79862564) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
PubChem CID79862564
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1C(Sc2nnc(C)o2)CCC1(C)C
InChIInChI=1S/C13H23N3OS/c1-5-8-14-11-10(6-7-13(11,3)4)18-12-16-15-9(2)17-12/h10-11,14H,5-8H2,1-4H3
InChIKeyIVUXVHITDRUDKW-UHFFFAOYSA-N
XLogP3.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine with MolForge

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Related Compounds

2,2-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 79862776
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine
CID 64722209
2,2-dimethyl-5-(4-nitrophenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 79866350
5-(3-bromophenyl)sulfanyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79862668
3,5-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine
CID 64735982
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 106927972
trans-(1R,2R)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclohexan-1-ol
CID 102732798
2,2-dimethyl-N-propyl-6-thiophen-2-ylsulfanylcyclohexan-1-amine
CID 79847964
6-cyclopentylsulfanyl-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79847103
N-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 64634486
N-ethyl-2,2-dimethyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-amine
CID 79863183
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine
CID 64633090

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine (CID 79862564) is 2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine is CCCNC1C(Sc2nnc(C)o2)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine?
The InChIKey is IVUXVHITDRUDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-5-8-14-11-10(6-7-13(11,3)4)18-12-16-15-9(2)17-12/h10-11,14H,5-8H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine?
2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine has a molecular weight of 269.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79862564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).