N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine

C9H18N4OS — CID 62581903

IUPACN',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine
SMILESCc1nnc(SCCNCCN(C)C)o1
InChIInChI=1S/C9H18N4OS/c1-8-11-12-9(14-8)15-7-5-10-4-6-13(2)3/h10H,4-7H2,1-3H3
InChIKeyKHTKNQWKIZSGLY-UHFFFAOYSA-N
MW230.34 g/mol
LogP0.62
Rot. Bonds7

About N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine (PubChem CID 62581903) has the molecular formula C9H18N4OS and a molecular weight of 230.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine
PubChem CID62581903
Molecular FormulaC9H18N4OS
Molecular Weight230.34 g/mol
Exact Mass230.12
IUPAC NameN',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine
SMILESCc1nnc(SCCNCCN(C)C)o1
InChIInChI=1S/C9H18N4OS/c1-8-11-12-9(14-8)15-7-5-10-4-6-13(2)3/h10H,4-7H2,1-3H3
InChIKeyKHTKNQWKIZSGLY-UHFFFAOYSA-N
XLogP0.62
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine (CID 62581903) is N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine is Cc1nnc(SCCNCCN(C)C)o1.
What is the InChIKey of N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine?
The InChIKey is KHTKNQWKIZSGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4OS/c1-8-11-12-9(14-8)15-7-5-10-4-6-13(2)3/h10H,4-7H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine has a molecular weight of 230.34 g/mol, XLogP of 0.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 62581903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).