(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine

C9H13BrN2S — CID 131000476

IUPAC(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine
SMILESN[C@@H](c1cc(Br)cs1)[C@@H](N)C1CC1
InChIInChI=1S/C9H13BrN2S/c10-6-3-7(13-4-6)9(12)8(11)5-1-2-5/h3-5,8-9H,1-2,11-12H2/t8-,9-/m0/s1
InChIKeyNSPDLKNLOFTGIT-IUCAKERBSA-N
MW261.19 g/mol
LogP2.25
Rot. Bonds3

About (1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine

(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine (PubChem CID 131000476) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is (1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound Name(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine
PubChem CID131000476
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine
SMILESN[C@@H](c1cc(Br)cs1)[C@@H](N)C1CC1
InChIInChI=1S/C9H13BrN2S/c10-6-3-7(13-4-6)9(12)8(11)5-1-2-5/h3-5,8-9H,1-2,11-12H2/t8-,9-/m0/s1
InChIKeyNSPDLKNLOFTGIT-IUCAKERBSA-N
XLogP2.25
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(4-bromothiophen-2-yl)-cyclobutylmethanamine
CID 95457413
(1S,2R)-1-cyclopropyl-2-(4,5-dibromothiophen-2-yl)ethane-1,2-diamine
CID 130826862
(4-bromothiophen-2-yl)-piperidin-4-ylmethanamine
CID 82307070
1-(4-bromothiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936486
(4-bromothiophen-2-yl)-(1-methylcyclopropyl)methanamine
CID 82295003
2,3-diamino-3-(4-bromothiophen-2-yl)propan-1-ol
CID 116942398
(1S)-1-(4-bromothiophen-2-yl)ethanamine
CID 64712232
(1S)-1-(4-bromothiophen-2-yl)ethanamine;hydrochloride
CID 155903190
(4-bromothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914594
(1R)-1-(4-bromothiophen-2-yl)propane-1,3-diamine
CID 131145468
2-[amino-(4-bromothiophen-2-yl)methyl]-3-methylbutanenitrile
CID 116946358
(4-bromothiophen-2-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79914498

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine?
The IUPAC name of (1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine (CID 131000476) is (1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine.
What is the SMILES notation for (1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine?
The canonical SMILES for (1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine is N[C@@H](c1cc(Br)cs1)[C@@H](N)C1CC1.
What is the InChIKey of (1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine?
The InChIKey is NSPDLKNLOFTGIT-IUCAKERBSA-N. The full InChI is InChI=1S/C9H13BrN2S/c10-6-3-7(13-4-6)9(12)8(11)5-1-2-5/h3-5,8-9H,1-2,11-12H2/t8-,9-/m0/s1.
What are the key properties of (1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine?
(1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine has a molecular weight of 261.19 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(4-bromothiophen-2-yl)-2-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 131000476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).