N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine

C10H17Cl2N5S — CID 79173497

IUPACN-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCn1nnnc1SCC(Cl)=CCl
InChIInChI=1S/C10H17Cl2N5S/c1-10(2,3)13-4-5-17-9(14-15-16-17)18-7-8(12)6-11/h6,13H,4-5,7H2,1-3H3
InChIKeyLQVUOEABQJZYGL-UHFFFAOYSA-N
MW310.25 g/mol
LogP2.47
Rot. Bonds6

About N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine

N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine (PubChem CID 79173497) has the molecular formula C10H17Cl2N5S and a molecular weight of 310.25 g/mol. Its IUPAC name is N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine
PubChem CID79173497
Molecular FormulaC10H17Cl2N5S
Molecular Weight310.25 g/mol
Exact Mass309.06
IUPAC NameN-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCn1nnnc1SCC(Cl)=CCl
InChIInChI=1S/C10H17Cl2N5S/c1-10(2,3)13-4-5-17-9(14-15-16-17)18-7-8(12)6-11/h6,13H,4-5,7H2,1-3H3
InChIKeyLQVUOEABQJZYGL-UHFFFAOYSA-N
XLogP2.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-[2-(tert-butylamino)ethyl]tetrazol-5-yl]sulfanylhexan-1-ol
CID 107707232
2-methyl-N-[2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114476906
2-methyl-N-[2-(5-pent-3-ynylsulfanyltetrazol-1-yl)ethyl]propan-2-amine
CID 113455919
2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
CID 82870865
2-methyl-N-[2-[5-[(5-methyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
CID 103140437
N-ethyl-2-[5-(3-methylbut-3-enylsulfanyl)tetrazol-1-yl]ethanamine
CID 114476900
2-(5-but-2-enylsulfanyltetrazol-1-yl)-N-methylethanamine
CID 77104131
N-ethyl-2-[5-(2-propan-2-ylsulfonylethylsulfanyl)tetrazol-1-yl]ethanamine
CID 106731830
N-[2-(1-cyclopentyltetrazol-5-yl)sulfanylethyl]-2-methylpropan-2-amine
CID 55071080
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
CID 51258381
N-tert-butyl-4-(1-cyclopropyltetrazol-5-yl)sulfanylbutan-1-amine
CID 62578301
N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114268875

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine (CID 79173497) is N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCn1nnnc1SCC(Cl)=CCl.
What is the InChIKey of N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine?
The InChIKey is LQVUOEABQJZYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2N5S/c1-10(2,3)13-4-5-17-9(14-15-16-17)18-7-8(12)6-11/h6,13H,4-5,7H2,1-3H3.
What are the key properties of N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine?
N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine has a molecular weight of 310.25 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2,3-dichloroprop-2-enylsulfanyl)tetrazol-1-yl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79173497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).