N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine

C16H21NO2S2 — CID 64646998

IUPACN-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine
SMILESCNC(CS(=O)(=O)c1cccs1)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H21NO2S2/c1-12(2)13-6-8-14(9-7-13)15(17-3)11-21(18,19)16-5-4-10-20-16/h4-10,12,15,17H,11H2,1-3H3
InChIKeyDUWOWASNYNJDNF-UHFFFAOYSA-N
MW323.48 g/mol
LogP3.61
Rot. Bonds6

About N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine

N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine (PubChem CID 64646998) has the molecular formula C16H21NO2S2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine
PubChem CID64646998
Molecular FormulaC16H21NO2S2
Molecular Weight323.48 g/mol
Exact Mass323.10
IUPAC NameN-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine
SMILESCNC(CS(=O)(=O)c1cccs1)c1ccc(C(C)C)cc1
InChIInChI=1S/C16H21NO2S2/c1-12(2)13-6-8-14(9-7-13)15(17-3)11-21(18,19)16-5-4-10-20-16/h4-10,12,15,17H,11H2,1-3H3
InChIKeyDUWOWASNYNJDNF-UHFFFAOYSA-N
XLogP3.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-2-thiophen-2-ylsulfonylethanamine
CID 64645996
N-methyl-1-(4-propylphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645998
N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-sulfonamide
CID 22201168
2-tert-butylsulfonyl-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64645179
1-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethanamine
CID 64645393
3,3-dimethyl-1-thiophen-2-ylsulfonylbutan-2-amine
CID 64646199
N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine
CID 62473459
N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
CID 107759066
2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64640001
N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547585
2-[2-(bromomethyl)pentylsulfonyl]thiophene
CID 65014082
5-thiophen-2-ylsulfonylpentan-2-amine
CID 64644611

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine?
The IUPAC name of N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine (CID 64646998) is N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine.
What is the SMILES notation for N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine?
The canonical SMILES for N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine is CNC(CS(=O)(=O)c1cccs1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine?
The InChIKey is DUWOWASNYNJDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S2/c1-12(2)13-6-8-14(9-7-13)15(17-3)11-21(18,19)16-5-4-10-20-16/h4-10,12,15,17H,11H2,1-3H3.
What are the key properties of N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine?
N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine has a molecular weight of 323.48 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-propan-2-ylphenyl)-2-thiophen-2-ylsulfonylethanamine is sourced from PubChem (CID 64646998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).