N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine

C9H14ClNS — CID 28566255

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Cl)s1
InChIInChI=1S/C9H14ClNS/c1-7(2)5-11-6-8-3-4-9(10)12-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeyXZBWKMGUJOVOMU-UHFFFAOYSA-N
MW203.74 g/mol
LogP3.15
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 28566255) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID28566255
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(Cl)s1
InChIInChI=1S/C9H14ClNS/c1-7(2)5-11-6-8-3-4-9(10)12-8/h3-4,7,11H,5-6H2,1-2H3
InChIKeyXZBWKMGUJOVOMU-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine (CID 28566255) is N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is XZBWKMGUJOVOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNS/c1-7(2)5-11-6-8-3-4-9(10)12-8/h3-4,7,11H,5-6H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 203.74 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 28566255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).