N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide

C13H19BrN2OS — CID 107963717

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
SMILESCC1CCCCC1(CN)NC(=O)c1csc(Br)c1
InChIInChI=1S/C13H19BrN2OS/c1-9-4-2-3-5-13(9,8-15)16-12(17)10-6-11(14)18-7-10/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)
InChIKeyMFVSYTFCZJWAAP-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.15
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide

N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide (PubChem CID 107963717) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
PubChem CID107963717
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide
SMILESCC1CCCCC1(CN)NC(=O)c1csc(Br)c1
InChIInChI=1S/C13H19BrN2OS/c1-9-4-2-3-5-13(9,8-15)16-12(17)10-6-11(14)18-7-10/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)
InChIKeyMFVSYTFCZJWAAP-UHFFFAOYSA-N
XLogP3.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]benzamide
CID 113283646
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,4-dichlorobenzamide
CID 115308514
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methylthiophene-3-carboxamide
CID 115308378
N-[1-(aminomethyl)-2-methylcyclohexyl]-1H-indazole-6-carboxamide
CID 115308660
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-bromo-1-cyclopropylpyrrole-2-carboxamide
CID 115308417
N-[1-(aminomethyl)-2-methylcyclohexyl]-1,2,5-thiadiazole-3-carboxamide
CID 113283690
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 115308388
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-hydroxy-5-iodobenzamide
CID 107732198
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-dichlorobenzamide
CID 115308512
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-chloro-2-methylbenzamide
CID 107098315
N-[1-(aminomethyl)-2-methylcyclohexyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 113283661
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-methoxy-2-phenylacetamide
CID 115308431

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide (CID 107963717) is N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide is CC1CCCCC1(CN)NC(=O)c1csc(Br)c1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide?
The InChIKey is MFVSYTFCZJWAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-9-4-2-3-5-13(9,8-15)16-12(17)10-6-11(14)18-7-10/h6-7,9H,2-5,8,15H2,1H3,(H,16,17).
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide?
N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-5-bromothiophene-3-carboxamide is sourced from PubChem (CID 107963717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).