1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine

C10H17ClN2S — CID 115222109

IUPAC1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(C)(C)CN(C)c1ccc(Cl)s1
InChIInChI=1S/C10H17ClN2S/c1-10(2,12-3)7-13(4)9-6-5-8(11)14-9/h5-6,12H,7H2,1-4H3
InChIKeyWSZOUASDDGBNPJ-UHFFFAOYSA-N
MW232.78 g/mol
LogP2.84
Rot. Bonds4

About 1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine

1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115222109) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is 1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115222109
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC Name1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCNC(C)(C)CN(C)c1ccc(Cl)s1
InChIInChI=1S/C10H17ClN2S/c1-10(2,12-3)7-13(4)9-6-5-8(11)14-9/h5-6,12H,7H2,1-4H3
InChIKeyWSZOUASDDGBNPJ-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine 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

N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204304
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylmethanediamine
CID 115226650
N'-(5-chlorothiophen-2-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201788
N-(5-chlorothiophen-2-yl)-N-methylhydroxylamine
CID 91603998
1-N,2-N,2-trimethyl-1-N-(2,3,5,6-tetramethylphenyl)propane-1,2-diamine
CID 115222118
methyl 2-[(5-chlorothiophen-2-yl)-methylamino]-2-methylpropanoate
CID 115128347
1-[(5-bromothiophen-2-yl)-methylamino]-2-methylpropan-2-ol
CID 115136851
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115132808
4-amino-1-[(5-chlorothiophen-2-yl)-methylamino]butan-2-ol
CID 117039086
5-chloro-N-methyl-N-(piperazin-1-ylmethyl)thiophen-2-amine
CID 115229873
1-[[(5-chlorothiophen-2-yl)-methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242816
5-chloro-N-methyl-N-(pyrrolidin-3-ylmethyl)thiophen-2-amine
CID 115208661

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115222109) is 1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine is CNC(C)(C)CN(C)c1ccc(Cl)s1.
What is the InChIKey of 1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is WSZOUASDDGBNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2S/c1-10(2,12-3)7-13(4)9-6-5-8(11)14-9/h5-6,12H,7H2,1-4H3.
What are the key properties of 1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 232.78 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chlorothiophen-2-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115222109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).