N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide

C14H21BrN2OS — CID 119568116

IUPACN-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide
SMILESNCC1(NC(=O)CCCc2ccc(Br)s2)CCCC1
InChIInChI=1S/C14H21BrN2OS/c15-12-7-6-11(19-12)4-3-5-13(18)17-14(10-16)8-1-2-9-14/h6-7H,1-5,8-10,16H2,(H,17,18)
InChIKeyWJPWLWKTWGDTCY-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.22
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide

N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide (PubChem CID 119568116) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide
PubChem CID119568116
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide
SMILESNCC1(NC(=O)CCCc2ccc(Br)s2)CCCC1
InChIInChI=1S/C14H21BrN2OS/c15-12-7-6-11(19-12)4-3-5-13(18)17-14(10-16)8-1-2-9-14/h6-7H,1-5,8-10,16H2,(H,17,18)
InChIKeyWJPWLWKTWGDTCY-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-(5-methylthiophen-2-yl)butanamide
CID 119568060
N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide
CID 119568476
N-[1-(aminomethyl)cyclopentyl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
CID 119568475
N-[1-(aminomethyl)cyclopentyl]-4-phenylbutanamide
CID 63754522
4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 115701308
4-(5-bromothiophen-2-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107846274
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide
CID 119612184
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897
4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433779
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120920693
N-[1-(aminomethyl)cyclopentyl]-4-methylsulfanylbutanamide
CID 119568496

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide (CID 119568116) is N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide is NCC1(NC(=O)CCCc2ccc(Br)s2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide?
The InChIKey is WJPWLWKTWGDTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c15-12-7-6-11(19-12)4-3-5-13(18)17-14(10-16)8-1-2-9-14/h6-7H,1-5,8-10,16H2,(H,17,18).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide?
N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide has a molecular weight of 345.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide is sourced from PubChem (CID 119568116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).