1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine

C8H11BrClNO2S2 — CID 102828055

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine
SMILESCC(C(N)c1cc(Br)c(Cl)s1)S(C)(=O)=O
InChIInChI=1S/C8H11BrClNO2S2/c1-4(15(2,12)13)7(11)6-3-5(9)8(10)14-6/h3-4,7H,11H2,1-2H3
InChIKeySJAZXMOIXKYQAM-UHFFFAOYSA-N
MW332.67 g/mol
LogP2.60
Rot. Bonds3

About 1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine

1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine (PubChem CID 102828055) has the molecular formula C8H11BrClNO2S2 and a molecular weight of 332.67 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine
PubChem CID102828055
Molecular FormulaC8H11BrClNO2S2
Molecular Weight332.67 g/mol
Exact Mass330.91
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine
SMILESCC(C(N)c1cc(Br)c(Cl)s1)S(C)(=O)=O
InChIInChI=1S/C8H11BrClNO2S2/c1-4(15(2,12)13)7(11)6-3-5(9)8(10)14-6/h3-4,7H,11H2,1-2H3
InChIKeySJAZXMOIXKYQAM-UHFFFAOYSA-N
XLogP2.60
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
1-(4-bromo-5-chlorothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 102828109
5-amino-5-(4-bromo-5-chlorothiophen-2-yl)-3-methylpentanoic acid
CID 102828955
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 102828326
3-bromo-5-(1-bromo-2,2-difluoroethyl)-2-chlorothiophene
CID 103514684
2,3-dibromo-5-[bromo-(4-bromo-5-chlorothiophen-2-yl)methyl]thiophene
CID 102836981
(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide
CID 102841382
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 102839158
3-bromo-2-chloro-5-[chloro-(3-methylsulfonylphenyl)methyl]thiophene
CID 102836321
methyl 3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanoate
CID 102841350
1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130870793
3-bromo-5-(1-bromo-2,2-dimethylpropyl)-2-chlorothiophene
CID 102837073

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine (CID 102828055) is 1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine is CC(C(N)c1cc(Br)c(Cl)s1)S(C)(=O)=O.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine?
The InChIKey is SJAZXMOIXKYQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrClNO2S2/c1-4(15(2,12)13)7(11)6-3-5(9)8(10)14-6/h3-4,7H,11H2,1-2H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine?
1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine has a molecular weight of 332.67 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 102828055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).