N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine

C9H13Cl2NS — CID 130964655

IUPACN-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1csc(Cl)c1Cl
InChIInChI=1S/C9H13Cl2NS/c1-9(2,3)12-4-6-5-13-8(11)7(6)10/h5,12H,4H2,1-3H3
InChIKeyGHAXYZJTCNDCGF-UHFFFAOYSA-N
MW238.18 g/mol
LogP3.94
Rot. Bonds2

About N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine

N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine (PubChem CID 130964655) has the molecular formula C9H13Cl2NS and a molecular weight of 238.18 g/mol. Its IUPAC name is N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine
PubChem CID130964655
Molecular FormulaC9H13Cl2NS
Molecular Weight238.18 g/mol
Exact Mass237.01
IUPAC NameN-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1csc(Cl)c1Cl
InChIInChI=1S/C9H13Cl2NS/c1-9(2,3)12-4-6-5-13-8(11)7(6)10/h5,12H,4H2,1-3H3
InChIKeyGHAXYZJTCNDCGF-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine (CID 130964655) is N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1csc(Cl)c1Cl.
What is the InChIKey of N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is GHAXYZJTCNDCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl2NS/c1-9(2,3)12-4-6-5-13-8(11)7(6)10/h5,12H,4H2,1-3H3.
What are the key properties of N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine?
N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 238.18 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dichlorothiophen-3-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 130964655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).