(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide

C12H17BrN2OS — CID 112735476

IUPAC(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
SMILESN[C@@H](CC1CC1)C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c13-11-4-3-9(17-11)5-6-15-12(16)10(14)7-8-1-2-8/h3-4,8,10H,1-2,5-7,14H2,(H,15,16)/t10-/m0/s1
InChIKeyYTYOROWWAOIDSD-JTQLQIEISA-N
MW317.25 g/mol
LogP2.30
Rot. Bonds6

About (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide

(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide (PubChem CID 112735476) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
PubChem CID112735476
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide
SMILESN[C@@H](CC1CC1)C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C12H17BrN2OS/c13-11-4-3-9(17-11)5-6-15-12(16)10(14)7-8-1-2-8/h3-4,8,10H,1-2,5-7,14H2,(H,15,16)/t10-/m0/s1
InChIKeyYTYOROWWAOIDSD-JTQLQIEISA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide;hydrochloride
CID 119276581
(2R)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]pentanamide
CID 103794391
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide
CID 103794381
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103808336
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-4-phenylbutanamide
CID 106048013
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106047974
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]butanamide
CID 103808340
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxypropanamide
CID 115140909
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 115712482
ethyl 2-amino-3-[2-(5-bromothiophen-2-yl)ethylamino]-3-oxopropanoate
CID 106047987
N-[2-(5-bromothiophen-2-yl)ethyl]-2,2-diphenylacetamide
CID 17415290
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111863259

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide?
The IUPAC name of (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide (CID 112735476) is (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide is N[C@@H](CC1CC1)C(=O)NCCc1ccc(Br)s1.
What is the InChIKey of (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide?
The InChIKey is YTYOROWWAOIDSD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17BrN2OS/c13-11-4-3-9(17-11)5-6-15-12(16)10(14)7-8-1-2-8/h3-4,8,10H,1-2,5-7,14H2,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide?
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide has a molecular weight of 317.25 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropylpropanamide is sourced from PubChem (CID 112735476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).