3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide

C11H17BrN2OS — CID 81079533

IUPAC3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1sccc1Br
InChIInChI=1S/C11H17BrN2OS/c1-2-8(6-13)5-11(15)14-7-10-9(12)3-4-16-10/h3-4,8H,2,5-7,13H2,1H3,(H,14,15)
InChIKeyQZCCTEAEGCWXAK-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.50
Rot. Bonds6

About 3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide

3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide (PubChem CID 81079533) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide
PubChem CID81079533
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC Name3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1sccc1Br
InChIInChI=1S/C11H17BrN2OS/c1-2-8(6-13)5-11(15)14-7-10-9(12)3-4-16-10/h3-4,8H,2,5-7,13H2,1H3,(H,14,15)
InChIKeyQZCCTEAEGCWXAK-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide
CID 103156291
N-[(3-bromothiophen-2-yl)methyl]-3,5,5-trimethylhexanamide
CID 78985808
N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 78986100
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide
CID 81079297
3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
CID 78986182
(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride
CID 119309779
3-(aminomethyl)-N-[(4-nitrophenyl)methyl]pentanamide
CID 81075966
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
CID 81070620
3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
CID 81080396
N-[(3-bromothiophen-2-yl)methyl]-3-ethylthiophene-2-carboxamide
CID 78985898
2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120987993
N-[(3-bromothiophen-2-yl)methyl]-3-methylbut-2-enamide
CID 78986047

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide (CID 81079533) is 3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide is CCC(CN)CC(=O)NCc1sccc1Br.
What is the InChIKey of 3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide?
The InChIKey is QZCCTEAEGCWXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-2-8(6-13)5-11(15)14-7-10-9(12)3-4-16-10/h3-4,8H,2,5-7,13H2,1H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide?
3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide has a molecular weight of 305.24 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide is sourced from PubChem (CID 81079533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).