1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide

C10H13BrN2OS — CID 81173121

IUPAC1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(Br)s2)CCC1
InChIInChI=1S/C10H13BrN2OS/c11-8-3-2-7(15-8)6-13-9(14)10(12)4-1-5-10/h2-3H,1,4-6,12H2,(H,13,14)
InChIKeyVBTHFUQGKKNTPB-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.01
Rot. Bonds3

About 1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide

1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 81173121) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID81173121
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(Br)s2)CCC1
InChIInChI=1S/C10H13BrN2OS/c11-8-3-2-7(15-8)6-13-9(14)10(12)4-1-5-10/h2-3H,1,4-6,12H2,(H,13,14)
InChIKeyVBTHFUQGKKNTPB-UHFFFAOYSA-N
XLogP2.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119292901
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CID 80594461
1-amino-N-[(5-ethylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 103809198
4-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]oxane-4-carboxamide;hydrochloride
CID 120925200
2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82765475
N-[(5-bromothiophen-2-yl)methyl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115183015
N-[(5-bromothiophen-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33172291
2-[1-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79852022
1-(aminomethyl)-N-[(5-bromothiophen-2-yl)methyl]-4-methylcyclohexane-1-carboxamide
CID 115441792
N-[(5-bromothiophen-2-yl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119730034
2-amino-N-[(5-bromothiophen-2-yl)methyl]acetamide;hydrochloride
CID 119292889
N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide
CID 138041285

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide (CID 81173121) is 1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide is NC1(C(=O)NCc2ccc(Br)s2)CCC1.
What is the InChIKey of 1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is VBTHFUQGKKNTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c11-8-3-2-7(15-8)6-13-9(14)10(12)4-1-5-10/h2-3H,1,4-6,12H2,(H,13,14).
What are the key properties of 1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide?
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 289.20 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 81173121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).