(1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine

C9H12Br2N2S — CID 130826862

IUPAC(1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
SMILESN[C@@H](c1cc(Br)c(Br)s1)[C@@H](N)C1CC1
InChIInChI=1S/C9H12Br2N2S/c10-5-3-6(14-9(5)11)8(13)7(12)4-1-2-4/h3-4,7-8H,1-2,12-13H2/t7-,8-/m0/s1
InChIKeyNHEXZSHVCKUOTE-YUMQZZPRSA-N
MW340.08 g/mol
LogP3.01
Rot. Bonds3

About (1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine

(1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine (PubChem CID 130826862) has the molecular formula C9H12Br2N2S and a molecular weight of 340.08 g/mol. Its IUPAC name is (1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name(1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
PubChem CID130826862
Molecular FormulaC9H12Br2N2S
Molecular Weight340.08 g/mol
Exact Mass337.91
IUPAC Name(1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
SMILESN[C@@H](c1cc(Br)c(Br)s1)[C@@H](N)C1CC1
InChIInChI=1S/C9H12Br2N2S/c10-5-3-6(14-9(5)11)8(13)7(12)4-1-2-4/h3-4,7-8H,1-2,12-13H2/t7-,8-/m0/s1
InChIKeyNHEXZSHVCKUOTE-YUMQZZPRSA-N
XLogP3.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.08
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020
1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130870793
(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine
CID 131000476
(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
CID 171235188
2-cycloheptyl-1-(4,5-dibromothiophen-2-yl)ethanamine
CID 114457744
(4,5-dibromothiophen-2-yl)-(2-methylcyclopropyl)methanamine
CID 80533050
2,3-dibromo-5-[bromo(cyclohexyl)methyl]thiophene
CID 80534412
(4,5-dibromothiophen-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methanamine
CID 114097016
1-(4,5-dibromothiophen-2-yl)-2-propylpentan-1-amine
CID 82985514
1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 80532874
(4,5-dibromothiophen-2-yl)-(oxan-4-yl)methanol
CID 80535371
(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105010511

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine?
The IUPAC name of (1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine (CID 130826862) is (1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine.
What is the SMILES notation for (1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine?
The canonical SMILES for (1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine is N[C@@H](c1cc(Br)c(Br)s1)[C@@H](N)C1CC1.
What is the InChIKey of (1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine?
The InChIKey is NHEXZSHVCKUOTE-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H12Br2N2S/c10-5-3-6(14-9(5)11)8(13)7(12)4-1-2-4/h3-4,7-8H,1-2,12-13H2/t7-,8-/m0/s1.
What are the key properties of (1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine?
(1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine has a molecular weight of 340.08 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 130826862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).